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6beta-Hydroxystigmast-4,22-dien-3-one

View entire compound with spectra: 1 MS (GC)

6beta-Hydroxystigmast-4,22-dien-3-one
SpectraBase Compound ID 2DhJlQOuvI0
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1
InChIKey FFKIQLXJMQUBQZ-NFVQQQKOSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aL8OzR9ugQ
Name 6beta-Hydroxystigmast-4,22-dien-3-one
Alternate Name(s) (6R,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5-ethyl-6-methylhept-3-en-2-yl)-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25,27,31H,7,10-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,27-,28-,29-/m1/s1
InChIKey FFKIQLXJMQUBQZ-NFVQQQKOSA-N
Molecular Weight 426.685 g/mol
SMILES O[C@@]1(C[C@]2([C@]3([C@@]([C@@]([C@](C)(C=C[C@](C(C)C)(CC)[H])[H])(CC3)[H])(CC[C@@]2([C@]2(CCC(C=C12)=O)C)[H])C)[H])[H])[H]
SPLASH splash10-00or-0092700000-5449bf771da0982bfbf0
Source of Spectrum QA-49-273-15
Wiley ID 1795580