SpectraBase Compound ID | 7Q3ZI4lMQdW |
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InChI | InChI=1S/C24H39N3O4S/c1-13(28)16-5-6-17-20-18(8-9-22(16,17)3)23(4)10-7-15(31-14(2)29)11-24(23,30)19(20)12-26-27-21(25)32/h12-13,15-20,28,30H,5-11H2,1-4H3,(H3,25,27,32)/b26-12+/t13?,15-,16+,17-,18-,19+,20-,22+,23+,24+/m0/s1 |
InChIKey | YQYHJGVYIIRPMZ-KANRBYKTSA-N |
Mol Weight | 465.7 g/mol |
Molecular Formula | C24H39N3O4S |
Exact Mass | 465.266128 g/mol |
SpectraBase Spectrum ID | BG6ujlte9N7 |
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Name | 5-BETA,20-DIHYDROXY-3-BETA-ACETOXY-6-BETA-THIOSEMICARBAZONE-B-NOR-PREGNANE |
Compound Number | 30 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C24H39N3O4S |
InChI | InChI=1S/C24H39N3O4S/c1-13(28)16-5-6-17-20-18(8-9-22(16,17)3)23(4)10-7-15(31-14(2)29)11-24(23,30)19(20)12-26-27-21(25)32/h12-13,15-20,28,30H,5-11H2,1-4H3,(H3,25,27,32)/b26-12+/t13?,15-,16+,17-,18-,19+,20-,22+,23+,24+/m0/s1 |
InChIKey | YQYHJGVYIIRPMZ-KANRBYKTSA-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 | 465.651 g/mol |
Sample ID | 70684 |
Solvent | DMSO-D6 |