| SpectraBase Compound ID | Illlhq4TPmN |
|---|---|
| InChI | InChI=1S/C36H58OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-38-28-29-22-24-35(2)30(27-29)18-19-31-32-20-21-34(37)36(32,3)25-23-33(31)35/h18,29,31-33H,4-15,19-28H2,1-3H3/t29-,31-,32-,33-,35-,36-/m0/s1 |
| InChIKey | ATMBHEBQIPOEKP-FWLWXZOUSA-N |
| Mol Weight | 538.9 g/mol |
| Molecular Formula | C36H58OS |
| Exact Mass | 538.420838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga71cPcUXbT |
|---|---|
| Name | 3-BETA-(HEXADEC-2-YNYL-THIAMETHYL)-ANDROST-5-EN-17-ONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58OS |
| InChI | InChI=1S/C36H58OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-38-28-29-22-24-35(2)30(27-29)18-19-31-32-20-21-34(37)36(32,3)25-23-33(31)35/h18,29,31-33H,4-15,19-28H2,1-3H3/t29-,31-,32-,33-,35-,36-/m0/s1 |
| InChIKey | ATMBHEBQIPOEKP-FWLWXZOUSA-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 | 538.916 g/mol |
| Source File Reference | UWLU73878 |