| SpectraBase Compound ID | ISijxDPG9sG |
|---|---|
| InChI | InChI=1S/C44H66O4S2/c1-39-15-9-29(25-31(39)5-7-33-35(39)11-17-41(3)37(33)13-19-43(41)45-21-22-46-43)27-49-50-28-30-10-16-40(2)32(26-30)6-8-34-36(40)12-18-42(4)38(34)14-20-44(42)47-23-24-48-44/h5-6,29-30,33-38H,7-28H2,1-4H3/t29-,30-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | POYNAGSARYRTSJ-INCODLIWSA-N |
| Mol Weight | 723.1 g/mol |
| Molecular Formula | C44H66O4S2 |
| Exact Mass | 722.440253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6h1tRHfUF2B |
|---|---|
| Name | 3-BETA-THIOLMETHYL-17-(1',2'-DIOXYETHYL)-ANDROST-5-ENE-DISULFIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O4S2 |
| InChI | InChI=1S/C44H66O4S2/c1-39-15-9-29(25-31(39)5-7-33-35(39)11-17-41(3)37(33)13-19-43(41)45-21-22-46-43)27-49-50-28-30-10-16-40(2)32(26-30)6-8-34-36(40)12-18-42(4)38(34)14-20-44(42)47-23-24-48-44/h5-6,29-30,33-38H,7-28H2,1-4H3/t29-,30-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | POYNAGSARYRTSJ-INCODLIWSA-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 | 723.126 g/mol |
| Source File Reference | UWLU73877 |