| SpectraBase Spectrum ID |
B1OAB3toMgy |
| Name |
(3S,5R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
| CAS Registry Number |
69976-86-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-17-7-6-14-12(13(17)3-4-15(17)21)9-16(22)19(23)10-11(20)5-8-18(14,19)2/h11-14,20,23H,3-10H2,1-2H3/t11-,12-,13-,14-,17-,18+,19-/m0/s1 |
| InChIKey |
HGXAOCGGQBZCFM-NAWYTOPGSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](C(C[C@]3([C@]4([C@](CC[C@]23[H])(C(CC4)=O)C)[H])[H])=O)(C1)O)C)[H] |
| SPLASH |
splash10-00di-0096000000-8b6c2e38bc420452b472 |
| Source of Spectrum |
I-57-438-0 |
| Synonyms |
(3S,5R,8R,9S,10R,13S,14S)-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
(3S,5R,8R,9S,10R,13S,14S)-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-quinone |
| Wiley ID |
1320261 |
