| SpectraBase Compound ID | 3clk4SyPLI3 |
|---|---|
| InChI | InChI=1S/C20H31N3O3S/c1-18-7-6-13-16(12(18)3-4-15(18)25)14(10-22-23-17(21)27)20(26)9-11(24)5-8-19(13,20)2/h10-14,16,24,26H,3-9H2,1-2H3,(H3,21,23,27)/b22-10+/t11-,12-,13-,14+,16-,18-,19+,20+/m0/s1 |
| InChIKey | MOEUKKTUKAXHCS-ZRZLIPSRSA-N |
| Mol Weight | 393.55 g/mol |
| Molecular Formula | C20H31N3O3S |
| Exact Mass | 393.208613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoJjHiWpYrb |
|---|---|
| Name | 3-BETA,5-BETA-DIHYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-ANDROSTANE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31N3O3S |
| InChI | InChI=1S/C20H31N3O3S/c1-18-7-6-13-16(12(18)3-4-15(18)25)14(10-22-23-17(21)27)20(26)9-11(24)5-8-19(13,20)2/h10-14,16,24,26H,3-9H2,1-2H3,(H3,21,23,27)/b22-10+/t11-,12-,13-,14+,16-,18-,19+,20+/m0/s1 |
| InChIKey | MOEUKKTUKAXHCS-ZRZLIPSRSA-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 | 393.544 g/mol |
| Sample ID | 70680 |
| Solvent | CDCl3 |