| SpectraBase Spectrum ID |
5qEStiQz8x6 |
| Name |
1-(4-Chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[A]phenanthren-2-yl]ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.180522491 u |
| Formula |
C26H29ClO3 |
| InChI |
InChI=1S/C26H29ClO3/c1-26-11-10-19-20(22(26)8-9-25(26)30)7-4-16-13-24(29)17(12-21(16)19)14-23(28)15-2-5-18(27)6-3-15/h2-3,5-6,12-13,19-20,22,25,29-30H,4,7-11,14H2,1H3/t19-,20+,22-,25-,26-/m0/s1 |
| InChIKey |
ZXQYWIARHULYEN-IASQOJPJSA-N |
| Molecular Weight |
424.968 g/mol |
| SMILES |
C=1(C(=CC2=C(C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(O)[H])[H])[H])CC(C=1C=CC(=CC1)Cl)=O)O |
![1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone](/api/spectrum/5qEStiQz8x6/structure.png?h=300&w=458 "1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone")
