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TETRAHYDROCORTISONE-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-BETA-PREGNANE-11,20-DIONE-DISODIUM-SALT
SpectraBase Compound ID DGcOTItKIZg
InChI InChI=1S/C21H32O11S2.2Na/c1-19-7-5-13(32-34(28,29)30)9-12(19)3-4-14-15-6-8-21(24,17(23)11-31-33(25,26)27)20(15,2)10-16(22)18(14)19;;/h12-15,18,24H,3-11H2,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/t12-,13-,14+,15+,18-,19+,20+,21+;;/m1../s1
InChIKey JKENCVHLFSYLFC-VFSRJACMSA-L
Mol Weight 568.55953856 g/mol
Molecular Formula C21H30Na2O11S2
Exact Mass 568.102493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlG0IzXEBHA
Name TETRAHYDROCORTISONE-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-BETA-PREGNANE-11,20-DIONE-DISODIUM-SALT
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30Na2O11S2
InChI InChI=1S/C21H32O11S2.2Na/c1-19-7-5-13(32-34(28,29)30)9-12(19)3-4-14-15-6-8-21(24,17(23)11-31-33(25,26)27)20(15,2)10-16(22)18(14)19;;/h12-15,18,24H,3-11H2,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/t12-,13-,14+,15+,18-,19+,20+,21+;;/m1../s1
InChIKey JKENCVHLFSYLFC-VFSRJACMSA-L
Literature Reference Author R.OKIHARA,K.MITAMURA,M.HASEGAWA,M.MORI,A.MUTO,G.KAKIYAMA,S.O GAWA,T.IIDA,M.SHIMAD
Literature Reference Citation CHEM.PHARM.BULL.,58,344(2010)
Literature Reference DOI 10.1248/cpb.58.344
Molecular Weight 568.562 g/mol
Sample ID 3408
Solvent Unknown