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Cholesta-8,14-dien-3-ol, (3.beta.,5.alpha.)-
SpectraBase Compound ID FvYfrcbXqkq
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19-,20+,21+,23-,26+,27-/m1/s1
InChIKey AWBZPJQUWZBRII-CXDHQSPESA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CkJH1ndpPu
Name Cholesta-8,14-dien-3-ol, (3.beta.,5.alpha.)-
CAS Registry Number 19431-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19-,20+,21+,23-,26+,27-/m1/s1
InChIKey AWBZPJQUWZBRII-CXDHQSPESA-N
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C[C@@]2(CCC=3C=4[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CCC3[C@]2(CC1)C)C)[H])[H]
SPLASH splash10-001i-0009000000-983833b6a127577934fe
Source of Spectrum KC-0-1701-2
Synonyms Cholesta-8,14-dien-3-ol .delta.8,14-Cholestadienol 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 5.alpha.-Cholesta-8,14-dien-3.beta.-ol 5.alpha.-Cholesta-8,14-diene-3.beta.-ol Cholesta-8,14-dien-3-ol, (3.beta.)- Cholesta-8,14-dien-3-ol, (3beta)- (3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 831031