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1-((8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
SpectraBase Compound ID 5CX1rl3dAmr
InChI InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14?,15?,16-,17?,18-,19-,20-,21+/m0/s1
InChIKey AURFZBICLPNKBZ-GQTZSTSZSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5VYU0tSHWO
Name 1-((8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14?,15?,16-,17?,18-,19-,20-,21+/m0/s1
InChIKey AURFZBICLPNKBZ-GQTZSTSZSA-N
Molecular Weight 318.501 g/mol
SMILES OC1CC[C@]2(C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2C(C)=O)[H])C)[H])[H])C
SPLASH splash10-000x-9631000000-e52830eff5c2ebadb04d
Source of Spectrum Fu-Qiang Peng, et al. Chemosphere, V.95, 2014, P.581-588
Synonyms 1-((8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethan-1-one
Wiley ID 1817359