| SpectraBase Compound ID | EU6i0JlUKjy |
|---|---|
| InChI | InChI=1S/2C36H58O3S/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(2)40(38,39)30-23-25-35(3)29(27-30)19-20-31-32-21-22-34(37)36(32,4)26-24-33(31)35/h2*19,28,30-33H,5-16,20-27H2,1-4H3/t2*28?,30-,31-,32-,33-,35-,36-/m00/s1 |
| InChIKey | QVURKHPTTVDPMY-ZMILNMFQSA-N |
| Mol Weight | 1141.8 g/mol |
| Molecular Formula | C72H116O6S2 |
| Exact Mass | 1140.821334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ylD02lPrHa |
|---|---|
| Name | 3-BETA-(1'-METHYL-2'-HEXADECYNYL-SULFONYL)-ANDROST-5-EN-17-ONE;MIXTURE |
| Compound Number | 17A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O6S2 |
| InChI | InChI=1S/2C36H58O3S/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(2)40(38,39)30-23-25-35(3)29(27-30)19-20-31-32-21-22-34(37)36(32,4)26-24-33(31)35/h2*19,28,30-33H,5-16,20-27H2,1-4H3/t2*28?,30-,31-,32-,33-,35-,36-/m00/s1 |
| InChIKey | QVURKHPTTVDPMY-ZMILNMFQSA-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 | 1141.829 g/mol |
| Source File Reference | UWLU73887 |