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14alpha-Sitosterin-5-en-3beta-ol
SpectraBase Compound ID LyU1xk9Hx19
InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey KZJWDPNRJALLNS-JZPCTHSZSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6KyA0v4ybE
Name 14alpha-Sitosterin-5-en-3beta-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey KZJWDPNRJALLNS-JZPCTHSZSA-N
Literature Reference DOI 10.1002/ardp.19813140105
Molecular Weight 414.718 g/mol
SMILES O[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@@]1([H])CC[C@@]2(C(C)CC[C@](C(C)C)(CC)[H])[H])C)[H])[H])C)[H]
SPLASH splash10-0bt9-6078900000-8e67a854bbf940f112ea
Source of Spectrum APC-314-24-3
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1787872