| SpectraBase Spectrum ID |
BQyQSx55IFM |
| Name |
Methyl 3-Methoxyestra-1,3,5(10),16-tetraene-17-carboxylate |
| Alternate Name(s) |
Methyl (8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/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/h5,7,9,12,16-18H,4,6,8,10-11H2,1-3H3/t16-,17-,18+,21+/m1/s1 |
| InChIKey |
KKHKFIUPKFHGLM-WIRSXHRWSA-N |
| Molecular Weight |
326.436 g/mol |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCc2c1)[H])[H])C(=O)OC)C)[H])OC |
| SPLASH |
splash10-004i-0219000000-8faded8b20fd8ec47104 |
| Source of Spectrum |
H-81-2268-8 |
| Wiley ID |
1787471 |
