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5alpha-Stigmasta-7-en-3beta-ol
SpectraBase Compound ID 8peL7RXvZb6
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/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey YSKVBPGQYRAUQO-UZSYLJJSSA-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 3PNC60kj8C
Name 5alpha-Stigmasta-7-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/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey YSKVBPGQYRAUQO-UZSYLJJSSA-N
Molecular Weight 414.718 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])(CC[C@]4(C3=CC[C@]2(C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-052b-0039300000-04733f3184a3542690d6
Source of Spectrum QA-47-1135-20
Synonyms (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1795155