| SpectraBase Compound ID | 3Y4mHZPJ3W |
|---|---|
| InChI | InChI=1S/C36H58O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-41(38,39)27-28-20-23-35(3)31-21-22-34(2)30(18-19-32(34)37)29(31)25-33-36(35,26-28)40-33/h28-31,33H,4-15,18-27H2,1-3H3/t28-,29-,30-,31-,33?,34-,35+,36?/m0/s1 |
| InChIKey | JZMOFALDTMRWGA-YHDSTRLXSA-N |
| Mol Weight | 586.9 g/mol |
| Molecular Formula | C36H58O4S |
| Exact Mass | 586.405582 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmPwL9RRdLz |
|---|---|
| Name | 3-BETA-(HEXADEC-2-YNYL-SULFONYLMETHYL)-ANDROST-5,6-EPOXY-17-ONE;MAJOR-EPIMER |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O4S |
| InChI | InChI=1S/C36H58O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-41(38,39)27-28-20-23-35(3)31-21-22-34(2)30(18-19-32(34)37)29(31)25-33-36(35,26-28)40-33/h28-31,33H,4-15,18-27H2,1-3H3/t28-,29-,30-,31-,33?,34-,35+,36?/m0/s1 |
| InChIKey | JZMOFALDTMRWGA-YHDSTRLXSA-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 | 586.914 g/mol |
| Source File Reference | UWLU73880 |