#12A;[2,2,3-BETA,4,4-D(5)]-17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THS-3-SULFATE-SODIUM-SALT
Compound with spectra: 1 NMR
![#12A;[2,2,3-BETA,4,4-D(5)]-17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THS-3-SULFATE-SODIUM-SALT](/api/compound/DavzcWD2c2v.png?ph=true&h=300&w=458 "#12A;[2,2,3-BETA,4,4-D(5)]-17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THS-3-SULFATE-SODIUM-SALT")
| SpectraBase Compound ID | DavzcWD2c2v |
|---|---|
| InChI | InChI=1S/C21H34O7S.Na/c1-19-8-5-14(28-29(25,26)27)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18(23)12-22;/h13-17,22,24H,3-12H2,1-2H3,(H,25,26,27);/q;+1/p-1/t13-,14+,15+,16-,17-,19-,20-,21-;/m0./s1/i5D2,11D2,14D; |
| InChIKey | MCLISZBFEYLDCH-SEIGTMDCSA-M |
| Mol Weight | 457.56827817 g/mol |
| Molecular Formula | C21H282H5NaO7S |
| Exact Mass | 457.215853 g/mol |
| Parent InChIKey | BLEZPYJDCDMCPE-UCRFNZRISA-M |
| Enantiomer InChIKey | MCLISZBFEYLDCH-WDPGJNKNSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of multiply deuterated 3- and 21-monosulfates of allo-tetrahydrocorticosteroids as internal standards for mass spectrometry | Steroids | 2012 |