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(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID Df64NaarCrK
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D
InChIKey MUMGGOZAMZWBJJ-HZRGXLBSSA-N
Mol Weight 291.45 g/mol
Molecular Formula C19H252D3O2
Exact Mass 291.22776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAva3v1cBI7
Name (8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25D3O2
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D
InChIKey MUMGGOZAMZWBJJ-HZRGXLBSSA-N
Molecular Weight 291.449 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@@]4(C(=CC(CC4)=O)CC[C@]3([C@@]2(CC1([2D])[2D])[H])[H])C)[H])C)[2D]
SPLASH splash10-00di-0970000000-090229d8c5a0d9b55dfd
Source of Spectrum KC-1987-1132-16
Synonyms (8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1292130