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#26D;[2,2,3-BETA,4,4-D(5)]-3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-11,20-DIONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THE-21-SULFATE-SODIUM-SALT

Compound with spectra: 1 NMR

#26D;[2,2,3-BETA,4,4-D(5)]-3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-11,20-DIONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THE-21-SULFATE-SODIUM-SALT
SpectraBase Compound ID 8MLZsJi9VID
InChI InChI=1S/C21H32O8S.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;/h12-15,18,22,25H,3-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t12-,13+,14-,15-,18+,19-,20-,21-;/m0./s1/i5D2,9D2,13D;
InChIKey HRAJSGIZFYLPNC-QINGPDEWSA-M
Mol Weight 471.55127817 g/mol
Molecular Formula C21H262H5NaO8S
Exact Mass 471.195117 g/mol
Parent InChIKey SYQSVHBEBSEGDB-XTTVAEOOSA-M
Enantiomer InChIKey HRAJSGIZFYLPNC-FIMGLIQXSA-M

View Spectrum of #26D;[2,2,3-BETA,4,4-D(5)]-3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-11,20-DIONE-SODIUM-SALT;[2,2,3-BETA,4,4-D(5)]-ALLO-THE-21-SULFATE-SODIUM-SALT

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
TETRAHYDROCORTISONE-21-SULFATE;3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-BETA-PREGNANE-11,20-DIONE-SODIUM-SALT
ALLO-TETRAHYDRO-11-DEOXYCORTISOL-21-SULFATE;3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNANE-11,20-DIONE-SODIUM-SALT
ALLO-TETRAHYDRO-11-DEOXYCORTISOL-21-SULFATE;3-ALPHA,17-ALPHA-DIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNANE-11,20-DIONE-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
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