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24-Methyl-3-oxo-5.beta.-chol-6-enoate
SpectraBase Compound ID 8h6Sz7pwZH9
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,16-17,19-22H,5,8-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey DLJSPXRZSWIQLY-NAMNPDSASA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGpSSac7w30
Name 24-Methyl-3-oxo-5.beta.-chol-6-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6-7,16-17,19-22H,5,8-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey DLJSPXRZSWIQLY-NAMNPDSASA-N
Molecular Weight 386.576 g/mol
SMILES [C@@]12([C@]([C@@]3(C=C[C@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-0fri-0049000000-1cdfa3338fc96ff6460b
Source of Spectrum F-49-2492-13
Synonyms (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-3-keto-10,13-dimethyl-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID 1362931