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 |