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

View entire compound with spectra: 2 MS (GC)

(4aS,6aR,6aS,6bR,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
SpectraBase Compound ID ElrbWPMGeU2
InChI InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23?,26-,27?,28+,29-,30-/m1/s1
InChIKey JZFSMVXQUWRSIW-FVEGXBIZSA-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 JguV53hRVnP
Name (4aS,6aR,6aS,6bR,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23?,26-,27?,28+,29-,30-/m1/s1
InChIKey JZFSMVXQUWRSIW-FVEGXBIZSA-N
Molecular Weight 456.711 g/mol
SMILES OC(C1(C[C@@]2(C=3[C@]([C@@]4(CCC5C(C(CC[C@@]5([C@]4(CC3)[H])C)O)(C)C)C)(CC[C@]2(CC1)C)C)[H])C)=O
SPLASH splash10-0006-9320000000-96dee6db6733320f763c
Source of Spectrum X2-55-658-3
Synonyms (4aS,6aR,6aS,6bR,12aR,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Wiley ID 1604444