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

View entire compound with spectra: 1 MS (GC)

(1S,2R,4aS,6aR,6aR,6bR,10R,12aR,14aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-4a-carboxylic acid
SpectraBase Compound ID H9L2V8j2QXT
InChI InChI=1S/C30H50O3/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/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21?,22-,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey USGWNZHHTABDDB-YHQSBTEISA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB4enjFL2sc
Name (1S,2R,4aS,6aR,6aR,6bR,10R,12aR,14aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-4a-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/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/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21?,22-,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey USGWNZHHTABDDB-YHQSBTEISA-N
Molecular Weight 458.727 g/mol
SMILES O[C@@]1(CC[C@@]2([C@@]3([C@]([C@@]4(CC[C@@]5(C(=O)O)CC[C@]([C@@]([C@]5([C@@]4(CC3)[H])[H])(C)[H])(C)[H])C)(CCC2C1(C)C)C)[H])C)[H]
SPLASH splash10-0a4i-8900000000-bb20078d8cd19c0d1d7a
Source of Spectrum G4-62-892-3
Synonyms (1S,2R,4aS,6aR,6aR,6bR,10R,12aR,14aS,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydro-1H-picene-4a-carboxylic acid
Wiley ID 1607888