#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-
Compound with spectra: 1 NMR
![#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-](/api/compound/Ixxdfw7sM7y.png?ph=true&h=300&w=458 "#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-")
| SpectraBase Compound ID | Ixxdfw7sM7y |
|---|---|
| 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-;/m0./s1/i10D2,16D,18D; |
| InChIKey | BPNPCADBDLLFGP-CRWOOXCXSA-M |
| Mol Weight | 472.56117639 g/mol |
| Molecular Formula | C21H292H4NaO8S |
| Exact Mass | 472.20449 g/mol |
| Parent InChIKey | UCVZOQFWMUAZJZ-VEPRKROWSA-M |
| Enantiomer InChIKey | BPNPCADBDLLFGP-LUDAGOMYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
ALLO-TETRAHYDROCORTISOL-3-SULFATE;11-BETA,17-ALPHA,21-TRIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
TETRAHYDROCORTISOL-3-SULFATE;11-BETA,17-ALPHA,21-TRIHYDROXY-3-ALPHA-SULFOOXY-5-BETA-PREGNAN-20-ONE-SODIUM-SALT
#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 |
|---|---|---|
| Synthesis of multiply deuterated 3- and 21-monosulfates of allo-tetrahydrocorticosteroids as internal standards for mass spectrometry | Steroids | 2012 |