| SpectraBase Spectrum ID |
EK9yquPXNCD |
| Name |
Methyl 3-methoxyestra-1,3,5(10)-trien-17-one-2-sulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O5S |
| InChI |
InChI=1S/C20H26O5S/c1-20-9-8-13-14(16(20)6-7-19(20)21)5-4-12-10-17(24-2)18(11-15(12)13)26(22,23)25-3/h10-11,13-14,16H,4-9H2,1-3H3/t13-,14+,16-,20-/m0/s1 |
| InChIKey |
WRMLNLWXRKAOIN-IDLUEMFASA-N |
| Molecular Weight |
378.483 g/mol |
| SMILES |
c1(S(=O)(=O)OC)cc2[C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCc2cc1OC)[H] |
| SPLASH |
splash10-004i-0029000000-36a59dd434c9d39ac800 |
| Source of Spectrum |
D8-327-641-2 |
| Synonyms |
Methyl 3-methoxy-17-oxoestra-1,3,5(10)-triene-2-sulfonate |
| Wiley ID |
1515495 |
