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(8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
SpectraBase Compound ID EJAOnF1lR5r
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14?,16-,17?,18-,19-,20-,21+/m0/s1
InChIKey XMRPGKVKISIQBV-JSCJIGOASA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8crsvQTVKM
Name (8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14?,16-,17?,18-,19-,20-,21+/m0/s1
InChIKey XMRPGKVKISIQBV-JSCJIGOASA-N
Molecular Weight 316.485 g/mol
SMILES C1C(CC2[C@](C1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)(C(CC2)C(C)=O)C)[H])[H])[H])C)=O
SPLASH splash10-000x-9640000000-b5e8ad687734fee8f886
Source of Spectrum Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588
Synonyms (8R,9S,10S,13S,14S)-17-acetyl-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1817360