| SpectraBase Compound ID | JzLnDS2n9UL |
|---|---|
| InChI | InChI=1S/C38H62O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-41-30-31-20-23-36(2)32(29-31)18-19-33-34(36)21-24-37(3)35(33)22-25-38(37)39-26-27-40-38/h18,31,33-35H,4-15,19-30H2,1-3H3/t31-,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | JRDZPQZRMWETFE-OCZQDICVSA-N |
| Mol Weight | 583.0 g/mol |
| Molecular Formula | C38H62O2S |
| Exact Mass | 582.447052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9TCqfXvIxj |
|---|---|
| Name | 3-BETA-(HEXADEC-2-YNYL-THIOLMETHYL)-17-(1',2'-DIOXYETHYL)-ANDROST-5-ENE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O2S |
| InChI | InChI=1S/C38H62O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-41-30-31-20-23-36(2)32(29-31)18-19-33-34(36)21-24-37(3)35(33)22-25-38(37)39-26-27-40-38/h18,31,33-35H,4-15,19-30H2,1-3H3/t31-,33+,34-,35-,36-,37-/m0/s1 |
| InChIKey | JRDZPQZRMWETFE-OCZQDICVSA-N |
| Literature Reference Author | J.R.WILLIAMS,J.C.BOEHM |
| Literature Reference Citation | STEROIDS,60,699(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00094-7 |
| Molecular Weight | 582.969 g/mol |
| Source File Reference | UWLU73876 |