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(8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

View entire compound with spectra: 1 MS (GC)

(8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SpectraBase Compound ID Ft5uqbQKig
InChI InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-15,17,22H,3-6,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey ZHWCPUFUYVTHSO-HQRJMKCBSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICVoaOzNMzI
Name (8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Alternate Name(s) (8R,9S,10R,12S,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (8R,9S,10R,12S,13R,14S)-12-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-15,17,22H,3-6,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey ZHWCPUFUYVTHSO-HQRJMKCBSA-N
Molecular Weight 300.398 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(C1)[H])(C=CC(=O)C4)C)[H])(CCC2=O)[H])C)[H]
SPLASH splash10-00e9-3940000000-842eee4c640f5252cfd0
Source of Spectrum F-32-90-2
Wiley ID 1303218