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Chol-9(11)-en-12-one, 3-hydroxy-, (3.alpha.,5.beta.)-
SpectraBase Compound ID 4IR8yuysqXq
InChI InChI=1S/C24H38O2/c1-5-6-15(2)19-9-10-20-18-8-7-16-13-17(25)11-12-23(16,3)21(18)14-22(26)24(19,20)4/h14-20,25H,5-13H2,1-4H3
InChIKey WOOQSCUQQNDTCE-UHFFFAOYSA-N
Mol Weight 358.6 g/mol
Molecular Formula C24H38O2
Exact Mass 358.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWoYmQNi275
Name Chol-9(11)-en-12-one, 3-hydroxy-, (3.alpha.,5.beta.)-
CAS Registry Number 42921-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O2
InChI InChI=1S/C24H38O2/c1-5-6-15(2)19-9-10-20-18-8-7-16-13-17(25)11-12-23(16,3)21(18)14-22(26)24(19,20)4/h14-20,25H,5-13H2,1-4H3
InChIKey WOOQSCUQQNDTCE-UHFFFAOYSA-N
Molecular Weight 358.566 g/mol
SMILES OC1CC2C(C=3C(C4C(C)(C(C(CCC)C)CC4)C(=O)C3)CC2)(C)CC1
SPLASH splash10-05i3-6942000000-9f6f0be0618e6025042d
Source of Spectrum SD-1981-0-0
Synonyms 3-Hydroxychol-9(11)-en-12-one 10,13-dimethyl-3-oxidanyl-17-pentan-2-yl-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one 3-Hydroxy-10,13-dimethyl-17-(1-methylbutyl)-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one 3-Hydroxy-10,13-dimethyl-17-pentan-2-yl-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
Wiley ID 1347457