| SpectraBase Compound ID | 7Pbrfu1bcR |
|---|---|
| InChI | InChI=1S/C22H37N3O3S/c1-12(26)14-4-5-15-18-16(7-8-20(14,15)2)21(3)9-6-13(27)10-22(21,28)17(18)11-24-25-19(23)29/h11-18,26-28H,4-10H2,1-3H3,(H3,23,25,29)/b24-11+/t12?,13-,14+,15-,16-,17+,18-,20+,21+,22+/m0/s1 |
| InChIKey | YCZPDFLRZQJINU-ZBKPXCMASA-N |
| Mol Weight | 423.6 g/mol |
| Molecular Formula | C22H37N3O3S |
| Exact Mass | 423.255563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaeIoNWrjIZ |
|---|---|
| Name | 3-BETA,5-BETA,20-TRIHYDROXY-6-BETA-THIOSEMICARBAZONE-B-NOR-PREGNANE |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H37N3O3S |
| InChI | InChI=1S/C22H37N3O3S/c1-12(26)14-4-5-15-18-16(7-8-20(14,15)2)21(3)9-6-13(27)10-22(21,28)17(18)11-24-25-19(23)29/h11-18,26-28H,4-10H2,1-3H3,(H3,23,25,29)/b24-11+/t12?,13-,14+,15-,16-,17+,18-,20+,21+,22+/m0/s1 |
| InChIKey | YCZPDFLRZQJINU-ZBKPXCMASA-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 | 423.614 g/mol |
| Sample ID | 70685 |
| Solvent | DMSO-D6 |