| SpectraBase Spectrum ID |
6REzLgof9Uh |
| Name |
Androstane-17-carboxylic acid, 17-(methylthio)-3-oxo-, methyl ester, (5.beta.,17.alpha.)- |
| Alternate Name(s) |
17.beta.-carbomethoxy-17.alpha.-(methylthio)-5.beta.-androstan-3-one
Methyl (5beta,17alpha)-17-(methylsulfanyl)-3-oxoandrostane-17-carboxylate |
| CAS Registry Number |
60774-60-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3S |
| InChI |
InChI=1S/C22H34O3S/c1-20-10-7-15(23)13-14(20)5-6-16-17(20)8-11-21(2)18(16)9-12-22(21,26-4)19(24)25-3/h14,16-18H,5-13H2,1-4H3/t14-,16-,17+,18+,20+,21+,22+/m1/s1 |
| InChIKey |
JSERQUVYLAPOEJ-FUHIEHHUSA-N |
| Molecular Weight |
378.571 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)OC)(CC[C@]2([C@@]2(CC[C@]3([C@@]([C@]2(CC1)[H])(CCC(=O)C3)C)[H])[H])[H])SC)C |
| SPLASH |
splash10-000t-0649000000-8d0f51fe285d39c36b43 |
| Source of Spectrum |
C-98-4899-0 |
| Wiley ID |
1358866 |
