For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Stigmastan-3-one
SpectraBase Compound ID BGmL5vFCrIS
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/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey BVVFRHKBULZQCQ-RLYMQTCXSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6huMsDeDHOv
Name Stigmastan-3-one
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/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey BVVFRHKBULZQCQ-RLYMQTCXSA-N
Literature Reference DOI 10.1002/jccs.200900089
Molecular Weight 414.718 g/mol
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CC[C@@](CC)(C(C)C)[H])(C)[H])[H])C)[H])C)=O
SPLASH splash10-01qa-2590200000-6b814f5d3fa504af0453
Source of Spectrum QA-56-603-5
Synonyms (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1791204