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7-BETA-HYDROXYPREGN-4-ENE-3,16-DIONE
SpectraBase Compound ID CFMX85vF0XI
InChI InChI=1S/C21H30O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h9,14-16,18-19,24H,4-8,10-11H2,1-3H3/t14-,15-,16-,18-,19+,20-,21+/m0/s1
InChIKey RTEFBYKMZREDFG-TWUNARIMSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNMajpTBLPn
Name (7S,8S,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-7-oxidanyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-4-14-17(23)11-16-19-15(6-8-21(14,16)3)20(2)7-5-13(22)9-12(20)10-18(19)24/h9,14-16,18-19,24H,4-8,10-11H2,1-3H3/t14-,15-,16-,18-,19+,20-,21+/m0/s1
InChIKey RTEFBYKMZREDFG-TWUNARIMSA-N
Molecular Weight 330.468 g/mol
SMILES O[C@]1(CC2=CC(CC[C@@]2([C@@]2([C@@]1([C@@]1(CC([C@](CC)([C@@]1(C)CC2)[H])=O)[H])[H])[H])C)=O)[H]
SPLASH splash10-001i-2309000000-33f356d017dc2cdafc40
Source of Spectrum G4-61-431-4
Synonyms (7S,8S,9S,10R,13S,14S,17R)-17-ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione (7S,8S,9S,10R,13S,14S,17R)-17-ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-quinone
Wiley ID 1607181