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5-BETA-CHOLEST-7-EN-3,6-DIONE
SpectraBase Compound ID 8GBn7LFk6EO
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/t18-,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey HARGXKQYICYDPO-ZLNDANPTSA-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 GRV1rJyulUq
Name (5R,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
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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/t18-,21-,22+,23+,24+,26-,27-/m1/s1
InChIKey HARGXKQYICYDPO-ZLNDANPTSA-N
Molecular Weight 398.631 g/mol
SMILES C1=2[C@@]([C@]3(CCC(C[C@]3(C(C2)=O)[H])=O)C)(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-0532-0198000000-694b15d8fac5d480c355
Source of Spectrum F-49-2496-8
Synonyms (5R,9R,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione (5R,9R,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,4,5,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-quinone
Wiley ID 1368709