-
(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)
- Betulic acid.cosy
- Classics_BetulinicAcid[6]
- Classics_BetulinicAcid.hsqc_tocsy
- Classics_BetulinicAcid.noesy
- Betulic acid.aptjmod
- Classics_BetulinicAcid.c13
- Classics_BetulinicAcid[1]
- Betulic acid.noesy
- Betulic acid.hmbc
- Classics_BetulinicAcid[8]
- Classics_BetulinicAcid.apt
- Classics_BetulinicAcid[4]
- Betulic acid.proton
-
(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)
- Classics_Abietic.hsqc
- Abietic acid; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
- Abietic acid; LC-ESI-QTOF; MS; NEGATIVE
- Classics_Abietic.apt
- Abietic acid; LC-ESI-QTOF; MS; POSITIVE
- Abietic acid.proton
- Classics_Abietic[3]
- Classics_Abietic[4]
- Abietic acid.apt
- Abietic acid.hsqc
- Classics_Abietic[6]
- Abietic acid; LC-APCI-QTOF; MS; POSITIVE
- ABIETIC ACID; EI-B; MS
- Abietic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- Classics_Abietic[1]
- Abietic acid.noesy
- Abietic acid; LC-APCI-QTOF; MS; NEGATIVE
- Abietic acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
- Abietic acid.hmbc
- Abietic acid.cosy
-
(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
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
- (-)Galanthamine; LC-ESI-QTOF; MS; POSITIVE
- Galantamine.proton
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
- Galantamine.noesy
- Galanthamine; LC-ESI-QQQ; MS; [M+H]+
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
- (-)Galanthamine; LC-APCI-QTOF; MS; POSITIVE
- Galantamine.hmbc
- Galantamine.hsqc
- Galanthamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
- Galantamine.cosy
-
(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)
-
(1S,4R,5S,8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.... Molecule
InChIKey BLUAFEHZUWYNDE-LJWSOQGGSA-N Molecular Formula C15H22O5
Related Dataset(s)
-
(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Molecule
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N Molecular Formula C10H16O
Related Dataset(s)
- Classics_b-Thujon.noesy
- -Thujone.apt
- -Thujone.apt
- Classics_b-Thujon.proton
- Classics_b-Thujon.hsqc
- -Thujone.hsqc
- Classics_b-Thujon[2]
- -Thujone.hmbc
- -Thujone.cosy
- Classics_b-Thujon.hmbc
- -Thujone.proton
- -Thujone.proton
- -Thujone.hsqc
- -Thujone.noesy
- -Thujone.hmbc
- Classics_b-Thujon.cosy
- -Thujone.noesy
- -Thujone.cosy
-
(2-iodo-5-methoxyphenyl)methanol Molecule
InChIKey AYLPYLQTOJCHSH-UHFFFAOYSA-N Molecular Formula C8H9IO2
Related Dataset(s)
-
(2E,4E)-hexa-2,4-dienoic acid Molecule
InChIKey WSWCOQWTEOXDQX-MQQKCMAXSA-N Molecular Formula C6H8O2
Related Dataset(s)
-
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexe... Molecule
InChIKey VYIRVAXUEZSDNC-NXPVNTPISA-N Molecular Formula C40H56O3
Related Dataset(s)
-
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypr... Molecule
InChIKey DOUMFZQKYFQNTF-WUTVXBCWSA-N Molecular Formula C18H16O8
Related Dataset(s)
- Rosmarinic acid; LC-ESI-QQ; MS2
- rosmarinic acid.aptjmod
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
- rosmarinic acid.noesy
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
- rosmarinic acid.hsqc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:30 V; [2M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [2M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
- rosmarinic acid.hmbc
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
- Rosmarinic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
- rosmarinic acid.cosy
-
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol Molecule
InChIKey BJRNKVDFDLYUGJ-DGORSVRFSA-N Molecular Formula C12H16O7
Related Dataset(s)
-
(2R,3R,4S,5S,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-SXUWKVJYSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(2R,3S,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol Molecule
InChIKey MSWZFWKMSRAUBD-FPRJBGLDSA-N Molecular Formula C6H13NO5
Related Dataset(s)
-
(3R)-3,7-dimethylocta-1,6-dien-3-ol Molecule
InChIKey CDOSHBSSFJOMGT-JTQLQIEISA-N Molecular Formula C10H18O
Related Dataset(s)
-
(3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid Molecule
InChIKey JXOHGGNKMLTUBP-KVQBGUIXSA-N Molecular Formula C7H10O5
Related Dataset(s)
-
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene Molecule
InChIKey XMGQYMWWDOXHJM-JTQLQIEISA-N Molecular Formula C10H16
Related Dataset(s)
-
(4aS,5aR,8aS,13aR,15aR,15bS)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-m... Molecule
InChIKey QMGVPVSNSZLJIA-KGSDWGHESA-N Molecular Formula C21H22N2O2
Related Dataset(s)
-
(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one Molecule
InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-N Molecular Formula C10H16O
Related Dataset(s)
- ultraviolet-visible spectrophotometry (UV-VIS)
- Pulegone.hsqc
- Pulegone.aptjmod
- Pulegone.proton
- Pulegone.hmbc
- NMR_Pulegone_Bruker-FID.hmbc
- Pulegone.noesy
- NMR_Pulegone_Bruker-FID[3]
- NMR_Pulegone_Bruker-FID.1d
- Pulegone.cosy
- 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
- NMR_Pulegone_Bruker-FID.noesy
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- NMR_Pulegone_Bruker-FID.hsqc
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electron ionisation mass spectrometry (EI-MS)
- NMR_Pulegone_Bruker-FID.aptjmod
-
(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol Molecule
InChIKey CYQFCXCEBYINGO-IRXDYDNUSA-N Molecular Formula C21H30O2
Related Dataset(s)
