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(8R,9S,10S,13S,14S)-10-deuteriocarbonyl-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

View entire compound with spectra: 1 MS (GC)

(8R,9S,10S,13S,14S)-10-deuteriocarbonyl-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 9zaKm3mn5n8
InChI InChI=1S/C19H26O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,12,14-16H,2-4,6-11H2,1H3/t14-,15-,16-,18-,19+/m0/s1/i12D
InChIKey DVDSCBZPGQBFFD-YZHGWTAUSA-N
Mol Weight 287.42 g/mol
Molecular Formula C19H252DO2
Exact Mass 287.199557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x1VjhCZvMR
Name (8R,9S,10S,13S,14S)-10-deuteriocarbonyl-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25DO2
InChI InChI=1S/C19H26O2/c1-18-11-9-16-14(15(18)7-8-17(18)21)6-5-13-4-2-3-10-19(13,16)12-20/h5,12,14-16H,2-4,6-11H2,1H3/t14-,15-,16-,18-,19+/m0/s1/i12D
InChIKey DVDSCBZPGQBFFD-YZHGWTAUSA-N
Molecular Weight 287.421 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@]([C@]3(CC2)[H])(C(=O)[2D])CCCC4)[H])(CCC1=O)[H])C
SPLASH splash10-0a4r-0090000000-97292d6b630e345a1fb7
Source of Spectrum E2-52-726-6
Synonyms (8R,9S,10S,13S,14S)-10-[deuterio(oxo)methyl]-13-methyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Wiley ID 1556457