![3-BETA-[2-PHENYLTHIO-(E/Z)-2-HEXADECYNYL-SULFONYL]-ANDROST-5-EN-17-ONE](/api/spectrum/77jleNXfvDC/structure.png?h=300&w=458 "3-BETA-[2-PHENYLTHIO-(E/Z)-2-HEXADECYNYL-SULFONYL]-ANDROST-5-EN-17-ONE")
| SpectraBase Compound ID | APPWO3OXZBh |
|---|---|
| InChI | InChI=1S/C41H62O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-34(45-33-19-17-15-18-20-33)31-46(43,44)35-26-28-40(2)32(30-35)22-23-36-37-24-25-39(42)41(37,3)29-27-38(36)40/h15,17-22,35-38H,4-14,16,23-31H2,1-3H3/b34-21+/t35-,36-,37-,38-,40-,41-/m0/s1 |
| InChIKey | AOFAUEOVWWQCAD-RFEINOBSSA-N |
| Mol Weight | 667.1 g/mol |
| Molecular Formula | C41H62O3S2 |
| Exact Mass | 666.414038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77jleNXfvDC |
|---|---|
| Name | 3-BETA-[2-PHENYLTHIO-(E/Z)-2-HEXADECYNYL-SULFONYL]-ANDROST-5-EN-17-ONE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O3S2 |
| InChI | InChI=1S/C41H62O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-34(45-33-19-17-15-18-20-33)31-46(43,44)35-26-28-40(2)32(30-35)22-23-36-37-24-25-39(42)41(37,3)29-27-38(36)40/h15,17-22,35-38H,4-14,16,23-31H2,1-3H3/b34-21+/t35-,36-,37-,38-,40-,41-/m0/s1 |
| InChIKey | AOFAUEOVWWQCAD-RFEINOBSSA-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 | 667.061 g/mol |
| Source File Reference | UWLU73888 |