| SpectraBase Compound ID | 4SKi48Z2PAP |
|---|---|
| InChI | InChI=1S/2C37H60O3S/c2*1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(3)41(39,40)31-22-24-36(4)30(27-31)20-21-32-33(36)23-25-37(5)34(32)26-28(2)35(37)38/h2*20,28-29,31-34H,6-17,21-27H2,1-5H3/t2*28-,29?,31+,32-,33+,34+,36+,37+/m11/s1 |
| InChIKey | XDWZRXCTIWLCIO-JUYHGLQXSA-N |
| Mol Weight | 1169.9 g/mol |
| Molecular Formula | C74H120O6S2 |
| Exact Mass | 1168.852634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RTGUw6f7Nb |
|---|---|
| Name | 16-ALPHA-METHYL-3-BETA-(1'-METHYL-2'-HEXADECYNYL-SULFONYL)-ANDROST-5-EN-17-ONE;MIXTURE |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H120O6S2 |
| InChI | InChI=1S/2C37H60O3S/c2*1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(3)41(39,40)31-22-24-36(4)30(27-31)20-21-32-33(36)23-25-37(5)34(32)26-28(2)35(37)38/h2*20,28-29,31-34H,6-17,21-27H2,1-5H3/t2*28-,29?,31+,32-,33+,34+,36+,37+/m11/s1 |
| InChIKey | XDWZRXCTIWLCIO-JUYHGLQXSA-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 | 1169.883 g/mol |
| Source File Reference | UWLU73886 |