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Cholest-7-ene-3,6-dione, (5.alpha.)-
SpectraBase Compound ID BK7nErN3uzR
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-18,21-24H,6-15H2,1-5H3
InChIKey HARGXKQYICYDPO-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZMjcnpYhM
Name Cholest-7-ene-3,6-dione, (5.alpha.)-
CAS Registry Number 2550-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h16-18,21-24H,6-15H2,1-5H3
InChIKey HARGXKQYICYDPO-UHFFFAOYSA-N
Molecular Weight 398.631 g/mol
SMILES CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)=CC(C2CC(CC1)=O)=O
SPLASH splash10-052k-0289000000-13bba702126c3e955b0d
Source of Spectrum AC-1993-737-8
Synonyms Cholest-7-ene-3,6-dione 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone 5.alpha.-Cholest-7-ene-3,6-dione
Wiley ID 811613