SpectraBase Spectrum ID |
7LYyGs8JLMk |
Name |
(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
CAS Registry Number |
19202-76-7 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H44O |
InChI |
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1 |
InChIKey |
IIPHPVVRBVBREZ-JDIFZLMISA-N |
Molecular Weight |
384.648 g/mol |
SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(C=CC(C4)=O)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
SPLASH |
splash10-00di-0901000000-a5b8aa5bb0df2d5c9bb9 |
Source of Spectrum |
KC-1992-3108-9 |
Synonyms |
(5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
Wiley ID |
777381 |