| SpectraBase Compound ID | 1SBpCleMxr8 |
|---|---|
| InChI | InChI=1S/C32H55N3O3S/c1-8-22(19(2)3)10-9-20(4)24-11-12-25-28-26(14-15-30(24,25)6)31(7)16-13-23(38-21(5)36)17-32(31,37)27(28)18-34-35-29(33)39/h18-20,22-28,37H,8-17H2,1-7H3,(H3,33,35,39)/b34-18+/t20-,22-,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1 |
| InChIKey | LEDLYOLDUWHZPZ-ZJAFIHEVSA-N |
| Mol Weight | 561.9 g/mol |
| Molecular Formula | C32H55N3O3S |
| Exact Mass | 561.396414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlCTO9jigpL |
|---|---|
| Name | 3-BETA-ACETOXY-5-BETA-HYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-SITOSTANE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H55N3O3S |
| InChI | InChI=1S/C32H55N3O3S/c1-8-22(19(2)3)10-9-20(4)24-11-12-25-28-26(14-15-30(24,25)6)31(7)16-13-23(38-21(5)36)17-32(31,37)27(28)18-34-35-29(33)39/h18-20,22-28,37H,8-17H2,1-7H3,(H3,33,35,39)/b34-18+/t20-,22-,23+,24-,25+,26+,27-,28+,30-,31-,32-/m1/s1 |
| InChIKey | LEDLYOLDUWHZPZ-ZJAFIHEVSA-N |
| Literature Reference Author | C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI |
| Literature Reference Citation | STEROIDS,77,1061(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.05.005 |
| Molecular Weight | 561.867 g/mol |
| Sample ID | 70676 |
| Solvent | CDCl3 |