TETRAHYDROCORTISOL-3-SULFATE;11-BETA,17-ALPHA,21-TRIHYDROXY-3-ALPHA-SULFOOXY-5-BETA-PREGNAN-20-ONE-SODIUM-SALT
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 7JfFH3xBhCb |
|---|---|
| InChI | InChI=1S/C21H34O8S.Na/c1-19-7-5-13(29-30(26,27)28)9-12(19)3-4-14-15-6-8-21(25,17(24)11-22)20(15,2)10-16(23)18(14)19;/h12-16,18,22-23,25H,3-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t12-,13-,14+,15+,16+,18-,19+,20+,21+;/m1./s1 |
| InChIKey | BPNPCADBDLLFGP-QVACUOIVSA-M |
| Mol Weight | 468.5 g/mol |
| Molecular Formula | C21H33NaO8S |
| Exact Mass | 468.179383 g/mol |
| Parent InChIKey | UCVZOQFWMUAZJZ-GXBDJPPSSA-M |
| Enantiomer InChIKey | BPNPCADBDLLFGP-VZOAOAQYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
ALLO-TETRAHYDROCORTISOL-3-SULFATE;11-BETA,17-ALPHA,21-TRIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
#29A;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA-SULFOOXY-11-BETA,17-ALPHA,21-TRIHYDROXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-3-
#24A;[2,2,3-BETA,4,4-D(5)]-11-BETA,17-ALPHA,21-TRIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THF-3-SULFATE-SODIUM-S
| 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 |
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.