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(8R,9S,13S,14S)-1-hydroxy-4,13-dimethyl-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene-12,17-dione
SpectraBase Compound ID mAx4sOl3Tv
InChI InChI=1S/C19H22O3/c1-10-3-7-15(20)18-11(10)4-5-12-13(18)9-17(22)19(2)14(12)6-8-16(19)21/h3,7,12-14,20H,4-6,8-9H2,1-2H3/t12-,13+,14+,19+/m1/s1
InChIKey FTSTWGKPKGASDU-BZIRYSOJSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHxHXdikham
Name (8R,9S,13S,14S)-1-hydroxy-4,13-dimethyl-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene-12,17-dione
CAS Registry Number 119124-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-10-3-7-15(20)18-11(10)4-5-12-13(18)9-17(22)19(2)14(12)6-8-16(19)21/h3,7,12-14,20H,4-6,8-9H2,1-2H3/t12-,13+,14+,19+/m1/s1
InChIKey FTSTWGKPKGASDU-BZIRYSOJSA-N
Molecular Weight 298.382 g/mol
SMILES Oc1c2[C@]3(CC([C@]4([C@]([C@@]3(CCc2c(C)cc1)[H])(CCC4=O)[H])C)=O)[H]
SPLASH splash10-001j-3490000000-1546ec1cee70d509354d
Source of Spectrum B-41-992-7
Synonyms (8R,9S,13S,14S)-1-hydroxy-4,13-dimethyl-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene-12,17-quinone (8R,9S,13S,14S)-4,13-dimethyl-1-oxidanyl-6,7,8,9,11,14,15,16-octahydrocyclopenta[a]phenanthrene-12,17-dione
Wiley ID 1301265