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(1R,7S)-1,10,10-trimethyl-4-[pyridin-2-yl-[(1R,7S)-1,10,10-trimethyl-3,4-diaz... Molecule
InChIKey KXRYDZCNUHBCQB-SJWRPRNESA-N Molecular Formula C28H35N5
Related Dataset(s)
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(1S)-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanol Molecule
InChIKey IOOIGEUVTBOKRL-ZDUSSCGKSA-N Molecular Formula C18H20O
Related Dataset(s)
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(1S)-1-(furan-2-yl)nonan-1-ol Molecule
InChIKey WCDUEUSLTDIZHW-LBPRGKRZSA-N Molecular Formula C13H22O2
Related Dataset(s)
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(1S)-1-(furan-2-yl)tridecan-1-ol Molecule
InChIKey KWSOXPPLWZODNZ-INIZCTEOSA-N Molecular Formula C17H30O2
Related Dataset(s)
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(1S)-1-(furan-2-yl)undecan-1-ol Molecule
InChIKey XDKMPPWBMLMXLH-AWEZNQCLSA-N Molecular Formula C15H26O2
Related Dataset(s)
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(1S)-1-phenylethanol Molecule
InChIKey WAPNOHKVXSQRPX-ZETCQYMHSA-N Molecular Formula C8H10O
Related Dataset(s)
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(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)
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(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)
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(1S,13R)-pentacyclo[11.7.1.01,10.03,8.014,19]henicosa-3,5,7,10,14,16,18-hepta... Molecule
InChIKey IKYAJDXLFUIGJJ-GTJPDFRWSA-N Molecular Formula C21H14O3
Related Dataset(s)
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(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)-2-[(1R)-1-[(1S,2R,5R,7R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-1... Molecule
InChIKey YKIHZJYAWYPKIK-VVBRJHLJSA-N Molecular Formula C26H40O2
Related Dataset(s)
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(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,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(2R)-but-3-en-2-yl]-8-methoxy-2,15-dimet... Molecule
InChIKey DWCHTVQQWOKNGW-RWNQQKCBSA-N Molecular Formula C24H38O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- fast-atom bombardment mass spectrometry (FABMS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(1S,2R,5R,7R,8R,10S,11S,14R,15R)-14-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl... Molecule
InChIKey AQOBCZGNYIDKIJ-CEXMQFLDSA-N Molecular Formula C30H50O
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
- high resolution fast-atom bombardment mass spectrometry (HRFABMS)
- fast-atom bombardment mass spectrometry (FABMS)
-
(1S,2S,4R,6S,8S,11R,12S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.01... Molecule
InChIKey WPLCXMVUVAWRQC-GPFHPJNKSA-N Molecular Formula C19H28O2
Related Dataset(s)
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(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethy... Molecule
InChIKey GBOGMAARMMDZGR-TYHYBEHESA-N
Related Dataset(s)
-
(1S,4S,7S,9R)-4-benzyl-9-hydroxy-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]he... Molecule
InChIKey QFUWWFVUUNGOMO-CPLUKWAASA-N
Related Dataset(s)
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(1S,4S,7S,9R)-9-hydroxy-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0... Molecule
InChIKey ZXNHGYZICBCEIG-YHDSQAASSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 1H.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 13C.jdf]
- (3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b NOESY.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-(2-methylsulfanylethyl)-2,5,16-triazatetracyclo[7.7... Molecule
InChIKey ALNWVOBRFCMSET-GVAFMPQTSA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.2d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b HMBC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione.1d
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(2-(methylthio)ethyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[5b 13C.jdf]
-
(1S,4S,7S,9R)-9-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,5,16-triazatetracyclo[7... Molecule
InChIKey VSZDKEGHNKLVGT-CPLUKWAASA-N
Related Dataset(s)
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b COSY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HSQC.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 1H.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 13C.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b NOESY.jdf]
- (3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HMBC.jdf]
