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(8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

View entire compound with spectra: 2 MS (GC)

(8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SpectraBase Compound ID 6zDjPodWtk2
InChI InChI=1S/C19H26O3/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/h9,13-15,17,22H,3-8,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey XYEUHFBPFQVTJV-HQRJMKCBSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hvwr5iNAfQ
Name (8R,9S,10R,12S,13R,14S)-10,13-dimethyl-12-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CAS Registry Number 80322-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/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/h9,13-15,17,22H,3-8,10H2,1-2H3/t13-,14-,15-,17-,18-,19-/m0/s1
InChIKey XYEUHFBPFQVTJV-HQRJMKCBSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(C1)[H])(CCC(=O)C4)C)[H])(CCC2=O)[H])C)[H]
SPLASH splash10-00e9-0892000000-356ec3e7eed4b3a9e79b
Source of Spectrum F-37-2513-0
Synonyms (8R,9S,10R,12S,13R,14S)-12-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione (8R,9S,10R,12S,13R,14S)-12-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone
Wiley ID 1304962