| SpectraBase Spectrum ID |
2ibKgoxvo1v |
| Name |
2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl methanesulfonate |
| Alternate Name(s) |
2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl methanesulfonate
Methanesulfonic acid 2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5S |
| InChI |
InChI=1S/C21H30O5S/c1-20-9-7-17-16-6-4-15(22)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-26-27(2,24)25/h4,6,13,17-19,22-23H,3,5,7-12H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1 |
| InChIKey |
CPKWXSLEBCOMJX-CRSSMBPESA-N |
| Molecular Weight |
394.526 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(CCOS(=O)(=O)C)O)(CC[C@]23[H])C)[H])[H])c1 |
| SPLASH |
splash10-0a6r-0928000000-7e82a6fe37c6f98cbd90 |
| Source of Spectrum |
E1-38-2347-10 |
| Wiley ID |
1598403 |
![2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl methanesulfonate](/api/spectrum/2ibKgoxvo1v/structure.png?h=300&w=458 "2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl methanesulfonate")
