-
(10R,13S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocy... Molecule
InChIKey RSIHSRDYCUFFLA-PPORCNLBSA-N
Related Dataset(s)
-
(17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyc... Molecule
InChIKey QXKRUGDXPWHXHL-UHFFFAOYSA-N
Related Dataset(s)
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[3]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[7]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[5]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[4]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[6]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
-
(17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule
InChIKey VZZVDHGDRPQCMC-UHFFFAOYSA-N
Related Dataset(s)
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
-
(17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule
InChIKey QUFXCTFKQBQMQC-UHFFFAOYSA-N
Related Dataset(s)
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
-
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one Molecule
InChIKey ZIUSSTSXXLLKKK-KOBPDPAPSA-N Molecular Formula C21H20O6
Related Dataset(s)
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hsqc
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.noesy
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.cosy
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.hmbc
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
- (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.proton
- Curcumin; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
- Curcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
-
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Molecule
InChIKey VFLDPWHFBUODDF-FCXRPNKRSA-N Molecular Formula C21H20O6
Related Dataset(s)
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdf]
- Curcumine; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
- Curcumine; LC-ESI-QTOF; MS; POSITIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdf]
- Curcumin; LC-ESI-ITTOF; MS; [M+H]+
- Curcumine; LC-APCI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdx]
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdf]
- Curcumine; LC-ESI-QTOF; MS; NEGATIVE
- Curcumin annotated NMR 400 MHz DMSOd6 data[1H.jdx]
- CURCUMIN; EI-B; MS
- Curcumine; LC-APCI-QTOF; MS; POSITIVE
- Curcumine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[HMBC.jdx]
- Curcumine; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[HSQC.jdx]
- Curcumin; LC-ESI-ITTOF; MS2; [M-H]-
- Curcumin annotated NMR 400 MHz DMSOd6 data[COSY.jdf]
- Curcumin annotated NMR 400 MHz DMSOd6 data[13C.jdf]
-
(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8... Molecule
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Related Dataset(s)
-
(1R,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol Molecule
InChIKey DSCFFEYYQKSRSV-FEPQRWDDSA-N
Related Dataset(s)
-
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-KXUCPTDWSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-pro... Molecule
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N Molecular Formula C30H50O
Related Dataset(s)
- Lupeol 900MHz 400MHz CDCl3 NMR data[1_Lupeol_1H]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_qH.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HSQC.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.dept
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[2_Lupeol_gcosy]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_HSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_q1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data.1d
- Lupeol 900MHz 400MHz CDCl3 NMR data[3_Lupeol_13CdeptQ]
- Lupeol 900MHz 400MHz CDCl3 NMR data[4_Lupeol_HSQC]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gHSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
-
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentameth... Molecule
InChIKey QGJZLNKBHJESQX-FZFNOLFKSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Classics_BetulinicAcid[8]
- Classics_BetulinicAcid.c13
- Classics_BetulinicAcid[6]
- Betulic acid.proton
- Classics_BetulinicAcid.noesy
- Classics_BetulinicAcid[1]
- Betulic acid.hmbc
- Classics_BetulinicAcid.hsqc_tocsy
- Classics_BetulinicAcid[4]
- Betulic acid.noesy
- Classics_BetulinicAcid.apt
- Betulic acid.cosy
- Betulic acid.aptjmod
-
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydroph... Molecule
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N Molecular Formula C20H30O2
Related Dataset(s)
- ABIETIC ACID; EI-B; MS
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid.hsqc
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Abietic acid.proton
- Abietic acid.hmbc
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Classics_Abietic.apt
- Classics_Abietic[4]
- Abietic acid.noesy
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Classics_Abietic[6]
- Classics_Abietic[1]
- Classics_Abietic[3]
- Classics_Abietic.hsqc
- Abietic acid.cosy
- Abietic acid.apt
-
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyc... Molecule
InChIKey JFVKWCYZKMUTLH-AYPBNUJASA-N
Related Dataset(s)
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[12]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[14]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.noesy
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[13]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hmbc
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.1d
- YAC_4C (Compound 16) 12a-Hydroxyrotenone[99999]
- YAC_4C (Compound 16) 12a-Hydroxyrotenone.hsqc
-
(1S,12S)-15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]ico... Molecule
InChIKey DQXBSJMCLQLJKV-DLBZAZTESA-N
Related Dataset(s)
-
(1S,12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9... Molecule
InChIKey HUKSJTUUSUGIDC-BDJLRTHQSA-N
Related Dataset(s)
-
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]hept... Molecule
InChIKey ASUTZQLVASHGKV-JDFRZJQESA-N Molecular Formula C17H21NO3
Related Dataset(s)
- Galantamine.apt
- Galantamine.cosy
- Galantamine.noesy
- Galantamine.hmbc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
-
(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacy... Molecule
InChIKey WVTKBKWTSCPRNU-KYJUHHDHSA-N Molecular Formula C38H42N2O6
Related Dataset(s)
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HMBC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_Jeol.jdf]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_HSQC_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_600MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS; POSITIVE
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_JDX.jdx]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_1HNMR_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_JDX.jdx]
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_COSY_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (S,S)-(+)-Tetrandrine; LC-ESI-QTOF; MS2
- (+)-Tetrandrine 400/600 MHz in DMSOd6 NMR data[Tetrandrine_3090ug200uL_DMSOd6_13CNMR_400MHz_Jeol.jdf]
- (S,S)-(+)-Tetrandrine; LC-APCI-QTOF; MS; POSITIVE
-
(1S,2R,4aS,6aS,6bR,10S,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5... Molecule
InChIKey WCGUUGGRBIKTOS-POPPTPIPSA-N Molecular Formula C30H48O3
Related Dataset(s)
- Ursolic Acid 400MHz DMSOd6 NMR data[Proton_NMR.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHSQC_DecEnh_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HMBC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gHMBC_8Hz_NS8_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[HSQC.jdx]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_CarbonRegDec_4096_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data.cosy
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_gCOSY_NS4_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[UrsolicAcid_URSO01_3160u200u_1Hq_spin_13CdecGARP_gfp1612-1-1.jdf]
- Ursolic Acid 400MHz DMSOd6 NMR data[13C_NMR.jdx]
-
(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol Molecule
InChIKey NOOLISFMXDJSKH-GUBZILKMSA-N Molecular Formula C10H20O
Related Dataset(s)
-
(1S,3S,6S,7S,8R)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol Molecule
InChIKey GGHMUJBZYLPWFD-JVSQWTDWSA-N Molecular Formula C15H26O
Related Dataset(s)
