| SpectraBase Spectrum ID |
3Y12OPqxUMr |
| Name |
(S)-Methyl 3-Methoxyestra-1,3,5(10)-triene-17-carboxylate |
| Alternate Name(s) |
Methyl (8S,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-21-11-10-16-15-7-5-14(23-2)12-13(15)4-6-17(16)18(21)8-9-19(21)20(22)24-3/h5,7,12,16-19H,4,6,8-11H2,1-3H3/t16-,17-,18+,19-,21+/m1/s1 |
| InChIKey |
DEVNBQQSGOLLNV-YRIDSSQKSA-N |
| Molecular Weight |
328.452 g/mol |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(C(=O)OC)[H])C)[H])OC |
| SPLASH |
splash10-004i-0619000000-df4f0530fe62834fc10c |
| Source of Spectrum |
H-81-2268-9 |
| Wiley ID |
1787472 |
