![3-BETA,17-BETA-DIACETOXY-4-BETA-[2-(PARA-TOLUENESULFONYLAMINO)-THIOPHENYL]-5-BETA-ANDROSTAN-6-ONE](/api/spectrum/6JYKzy3BI6j/structure.png?h=300&w=458 "3-BETA,17-BETA-DIACETOXY-4-BETA-[2-(PARA-TOLUENESULFONYLAMINO)-THIOPHENYL]-5-BETA-ANDROSTAN-6-ONE")
| SpectraBase Compound ID | ClhWwuOSadA |
|---|---|
| InChI | InChI=1S/C36H45NO7S2/c1-21-10-12-24(13-11-21)46(41,42)37-28-8-6-7-9-31(28)45-34-30(43-22(2)38)17-19-36(5)27-16-18-35(4)26(14-15-32(35)44-23(3)39)25(27)20-29(40)33(34)36/h6-13,25-27,30,32-34,37H,14-20H2,1-5H3/t25-,26-,27-,30-,32-,33+,34-,35-,36+/m0/s1 |
| InChIKey | KAZWFNBBUTZPSI-IUGWKPBJSA-N |
| Mol Weight | 667.9 g/mol |
| Molecular Formula | C36H45NO7S2 |
| Exact Mass | 667.263745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JYKzy3BI6j |
|---|---|
| Name | 3-BETA,17-BETA-DIACETOXY-4-BETA-[2-(PARA-TOLUENESULFONYLAMINO)-THIOPHENYL]-5-BETA-ANDROSTAN-6-ONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45NO7S2 |
| InChI | InChI=1S/C36H45NO7S2/c1-21-10-12-24(13-11-21)46(41,42)37-28-8-6-7-9-31(28)45-34-30(43-22(2)38)17-19-36(5)27-16-18-35(4)26(14-15-32(35)44-23(3)39)25(27)20-29(40)33(34)36/h6-13,25-27,30,32-34,37H,14-20H2,1-5H3/t25-,26-,27-,30-,32-,33+,34-,35-,36+/m0/s1 |
| InChIKey | KAZWFNBBUTZPSI-IUGWKPBJSA-N |
| Literature Reference Author | H.L.HOLLAND,S.KUMARESAN,G.LAKSHMAIAH |
| Literature Reference Citation | CAN.J.CHEM.,73,2185(1995) |
| Literature Reference DOI | 10.1139/v95-271 |
| Molecular Weight | 667.876 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15497 |