| SpectraBase Spectrum ID |
L6tSz8LPj8w |
| 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 |
| Alternate Name(s) |
1-(4-chlorophenyl)-2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]ethanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
O[C@]1(CC[C@]2([C@@]3(CCc4c(cc(c(c4)O)CC(c4ccc(cc4)Cl)=O)[C@]3(CC[C@]12C)[H])[H])[H])[H] |
| SPLASH |
splash10-03di-0009000000-429b8ec7677ce2891562 |
| Source of Spectrum |
D8-330-296-11 |
| Wiley ID |
1516487 |
![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/L6tSz8LPj8w/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")
