#29D;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-21
Compound with spectra: 1 NMR
![#29D;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-21](/api/compound/5u4Ro9gi81z.png?ph=true&h=300&w=458 "#29D;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-21")
| SpectraBase Compound ID | 5u4Ro9gi81z |
|---|---|
| InChI | InChI=1S/C21H34O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)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 | SKEXELGHSMBKSL-CRWOOXCXSA-M |
| Mol Weight | 472.56117639 g/mol |
| Molecular Formula | C21H292H4NaO8S |
| Exact Mass | 472.20449 g/mol |
| Parent InChIKey | MHZJFIUMIUJEOX-VEPRKROWSA-M |
| Enantiomer InChIKey | SKEXELGHSMBKSL-LUDAGOMYSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
#24D;[2,2,3-BETA,4,4-D(5)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THF-21-SULFATE-SODIUM-
ALLO-TETRAHYDROCORTISOL-21-SULFATE;3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
TETRAHYDROCORTISOL-21-SULFATE;3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-BETA-PREGNAN-20-ONE-SODIUM-SALT
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of multiply deuterated 3- and 21-monosulfates of allo-tetrahydrocorticosteroids as internal standards for mass spectrometry | Steroids | 2012 |