| SpectraBase Compound ID | 4gycRGFkUpA |
|---|---|
| InChI | InChI=1S/C22H33N3O4S/c1-12(26)29-13-6-9-21(3)15-7-8-20(2)14(4-5-17(20)27)18(15)16(22(21,28)10-13)11-24-25-19(23)30/h11,13-16,18,28H,4-10H2,1-3H3,(H3,23,25,30)/b24-11+/t13-,14-,15-,16+,18-,20-,21+,22+/m0/s1 |
| InChIKey | XTWAIWVDAGLDPB-VZAKCFLESA-N |
| Mol Weight | 435.6 g/mol |
| Molecular Formula | C22H33N3O4S |
| Exact Mass | 435.219178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmKDpD7nKcV |
|---|---|
| Name | 3-BETA-ACETOXY-5-BETA-HYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-ANDROSTANE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N3O4S |
| InChI | InChI=1S/C22H33N3O4S/c1-12(26)29-13-6-9-21(3)15-7-8-20(2)14(4-5-17(20)27)18(15)16(22(21,28)10-13)11-24-25-19(23)30/h11,13-16,18,28H,4-10H2,1-3H3,(H3,23,25,30)/b24-11+/t13-,14-,15-,16+,18-,20-,21+,22+/m0/s1 |
| InChIKey | XTWAIWVDAGLDPB-VZAKCFLESA-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 | 435.582 g/mol |
| Sample ID | 70677 |
| Solvent | CDCl3 |