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(8S,9S,10S,13S,14S)-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SpectraBase Compound ID BpvgtjPTG4T
InChI InChI=1S/C18H22O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-15,21H,2-5,7-8H2,1H3/t13-,14-,15-,17-,18+/m0/s1
InChIKey RVUDOXUDSXVAEV-FTAMUGHTSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRqzxeHIm8K
Name (8S,9S,10S,13S,14S)-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Alternate Name(s) (8S,9S,10S,13S,14S)-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-quinone (8S,9S,10S,13S,14S)-13-methyl-10-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione 10-hydroxyestra-1,4-diene-3,17-dione
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Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-15,21H,2-5,7-8H2,1H3/t13-,14-,15-,17-,18+/m0/s1
InChIKey RVUDOXUDSXVAEV-FTAMUGHTSA-N
Molecular Weight 286.371 g/mol
SMILES O[C@]12C(=CC(C=C2)=O)CC[C@]2([C@@]3(CCC([C@]3(CC[C@]12[H])C)=O)[H])[H]
SPLASH splash10-0pia-5940000000-57335df23f8702d97f6c
Source of Spectrum F-53-14079-3
Wiley ID 804084