| SpectraBase Spectrum ID |
4N1VFEaOhjC |
| Name |
1-[(2R,3R,9S,10R,12R,13S,14S)-10,13-dimethyl-2,3,12-tris(oxidanyl)-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3/t15-,16-,17+,18+,19+,20-,21+/m0/s1 |
| InChIKey |
IWQKGRNFKYKJHS-KQFCJCSDSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
O[C@]1([C@@]2(C(=CC[C@]2(C2=CCC=3[C@](C[C@]([C@@](C3)(O)[H])(O)[H])([C@]2(C1)[H])C)[H])C(C)=O)C)[H] |
| SPLASH |
splash10-052f-9001000000-82a57c46176bfc66e07e |
| Source of Spectrum |
X2-50-72-4 |
| Synonyms |
1-[(2R,3R,9S,10R,12R,13S,14S)-2,3,12-trihydroxy-10,13-dimethyl-2,3,6,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Wiley ID |
1602144 |
