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(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID CNtPBRGkf9W
InChI InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,7,9,11,13-14,17-19H,4,6,8,10,12H2,1-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKey BUVDEWQIQPFMQI-NWSAAYAGSA-N
Mol Weight 296.45 g/mol
Molecular Formula C21H28O
Exact Mass 296.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tlmbTfKqD6
Name (8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number 58702-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O
InChI InChI=1S/C21H28O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,7,9,11,13-14,17-19H,4,6,8,10,12H2,1-3H3/t14-,17-,18-,19-,20+,21-/m0/s1
InChIKey BUVDEWQIQPFMQI-NWSAAYAGSA-N
Molecular Weight 296.454 g/mol
SMILES [C@]12(C(C=C[C@@]3([C@@]2(CC[C@@]2([C@@](CC)(CC[C@@]32[H])[H])C)[H])[H])=CC(C=C1)=O)C
SPLASH splash10-03di-0920000000-26060105359f0963ee14
Source of Spectrum J-46-955-0
Wiley ID 1299751