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(1S,2R,4aS,6aS,6bR,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1S,2R,4aS,6aS,6bR,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
SpectraBase Compound ID 1rl1UUQ3vvf
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23?,24?,27+,28-,29-,30+/m1/s1
InChIKey WCGUUGGRBIKTOS-MSSRRZPQSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gga0ycE8Rdp
Name (1S,2R,4aS,6aS,6bR,12aR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Alternate Name(s) (1S,2R,4aS,6aS,6bR,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23?,24?,27+,28-,29-,30+/m1/s1
InChIKey WCGUUGGRBIKTOS-MSSRRZPQSA-N
Molecular Weight 456.711 g/mol
SMILES OC1CC[C@]2(C(CC[C@]3([C@]4(C(C5[C@@](C(=O)O)(CC4)CC[C@]([C@@]5(C)[H])(C)[H])=CCC23)C)C)C1(C)C)C
SPLASH splash10-00di-6920000000-00fad3c92428e6c6dc94
Source of Spectrum PS-1999-0-88
Wiley ID 1389505