| SpectraBase Compound ID | 7nCAsbWRs4b |
|---|---|
| InChI | InChI=1S/C21H32O2S/c1-12(22)23-18-7-6-14-13-4-5-16-19-17(24-19)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | LSUATCWUDHFNBK-UXXFREBZSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O2S |
| Exact Mass | 348.212301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jdu3SuFKjRA |
|---|---|
| Name | 3-BETA-4-EPITHIO-5-ALPHA-ANDROSTAN-17-BETA-YL-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O2S |
| InChI | InChI=1S/C21H32O2S/c1-12(22)23-18-7-6-14-13-4-5-16-19-17(24-19)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey | LSUATCWUDHFNBK-UXXFREBZSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 348.544 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW3672 |