TETRAHYDRO-11-DEOXYCORTISOL-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-BETA-PREGNAN-20-ONE-DISODIUM-SALT
Compound with spectra: 1 NMR
| SpectraBase Compound ID | C4R3gqjxuzp |
|---|---|
| InChI | InChI=1S/C21H34O10S2.2Na/c1-19-8-5-14(31-33(27,28)29)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,23)18(22)12-30-32(24,25)26;;/h13-17,23H,3-12H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/t13-,14-,15-,16+,17+,19+,20+,21+;;/m1../s1 |
| InChIKey | VKBOJMOLZPDIAW-KQBTYVKTSA-L |
| Mol Weight | 554.57653856 g/mol |
| Molecular Formula | C21H32Na2O10S2 |
| Exact Mass | 554.123228 g/mol |
| Parent InChIKey | TYGLEENAVLJOMS-FAIYVORSSA-L |
| Enantiomer InChIKey | VKBOJMOLZPDIAW-KNOGOUQBSA-L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
TETRAHYDRO-11-DEOXYCORTISOL-21-SULFATE;3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-BETA-PREGNAN-20-ONE-SODIUM-SALT
ALLO-TETRAHYDRO-11-DEOXYCORTISOL-21-SULFATE;3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
TETRAHYDRO-11-DEOXYCORTISOL-3-SULFATE;17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-BETA-PREGNAN-20-ONE-SODIUM-SALT
ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3-SULFATE;17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
3α,17,21-trihydroxy-5β-pregnan-20-one, 3,21-diacetate
3α,17,21-trihydroxy-5β-pregnan-20-one, 21-acetate
3α,17,21-trihydroxy-5β-pregnan-20-one, 3-acetate
pregnane-3,20-dione, 21-(acetyloxy)-17-hydroxy-
17.alpha.-Hydroxy-pregnanolone, O,O'-bis-TMS
| Title | Journal or Book | Year |
|---|---|---|
| Potential Corticoid Metabolites: Chemical Synthesis of 3- and 21-Monosulfates and Their Double-Conjugates of Tetrahydrocorticosteroids in the 5.ALPHA.- and 5.BETA.-Series | Chemical and Pharmaceutical Bulletin | 2010 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.