| SpectraBase Spectrum ID |
4xBNM2zeaKP |
| Name |
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]-1-phenyl-ethanone |
| Alternate Name(s) |
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]-1-phenyl-ethanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O3 |
| InChI |
InChI=1S/C26H30O3/c1-26-12-11-19-20(22(26)9-10-25(26)29)8-7-17-14-24(28)18(13-21(17)19)15-23(27)16-5-3-2-4-6-16/h2-6,13-14,19-20,22,25,28-29H,7-12,15H2,1H3/t19-,20+,22-,25-,26-/m0/s1 |
| InChIKey |
MKCGUDCFQRCZQI-IASQOJPJSA-N |
| Molecular Weight |
390.523 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCc4c(cc(c(c4)O)CC(c4ccccc4)=O)[C@]3(CC[C@]12C)[H])[H])[H])[H] |
| SPLASH |
splash10-03di-0009000000-e44c8120eeb660450158 |
| Source of Spectrum |
D8-330-296-10 |
| Wiley ID |
1516488 |
![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]-1-phenyl-ethanone](/api/spectrum/4xBNM2zeaKP/structure.png?h=300&w=458 "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]-1-phenyl-ethanone")
