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5.beta.-Cholest-24-en-12-one
SpectraBase Compound ID ANB4o2dxVM2
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)24(21)17-25(28)27(22,23)5/h9,19-24H,6-8,10-17H2,1-5H3
InChIKey ONHUXHSYEDHRCB-UHFFFAOYSA-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 K5fzT09BQa6
Name 5.beta.-Cholest-24-en-12-one
CAS Registry Number 14949-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)24(21)17-25(28)27(22,23)5/h9,19-24H,6-8,10-17H2,1-5H3
InChIKey ONHUXHSYEDHRCB-UHFFFAOYSA-N
Molecular Weight 384.648 g/mol
SMILES CC12C(C3C(CC2=O)C2(C)C(CC3)CCCC2)CCC1C(CCC=C(C)C)C
SPLASH splash10-05o0-9421000000-2b8eacbf62fb58990be4
Source of Spectrum SD-1981-0-0
Synonyms Cholest-24-en-12-one 10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-one 17-(1,5-dimethylhex-4-enyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-one
Wiley ID 55696