SpectraBase Compound ID | I0e4LZ2PFU3 |
---|---|
InChI | InChI=1S/C22H35N3O3S/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/h11,13-18,27-28H,4-10H2,1-3H3,(H3,23,25,29)/b24-11+/t13-,14+,15-,16-,17+,18-,20+,21+,22+/m0/s1 |
InChIKey | WQUYKEMLBRFUNN-MOBGYQDGSA-N |
Mol Weight | 421.6 g/mol |
Molecular Formula | C22H35N3O3S |
Exact Mass | 421.239913 g/mol |
SpectraBase Spectrum ID | 8JQrVsxaQgE |
---|---|
Name | 3-BETA,5-BETA-DIHYDROXYL-6-BETA-THIOSEMICARBAZONE-B-NOR-PREGNANE |
Compound Number | 27 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C22H35N3O3S |
InChI | InChI=1S/C22H35N3O3S/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/h11,13-18,27-28H,4-10H2,1-3H3,(H3,23,25,29)/b24-11+/t13-,14+,15-,16-,17+,18-,20+,21+,22+/m0/s1 |
InChIKey | WQUYKEMLBRFUNN-MOBGYQDGSA-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 | 421.598 g/mol |
Sample ID | 70681 |
Solvent | CDCl3 |