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ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-ALPHA-PREGNAN-20-ONE-DISODIUM-SALT

View entire compound with spectra: 1 NMR

ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-ALPHA-PREGNAN-20-ONE-DISODIUM-SALT
SpectraBase Compound ID 8NCWokK64fy
InChI InChI=1S/C21H34O10S2.2Na/c1-19-8-5-14(31-33(27,28)29)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,23)18(22)12-30-32(24,25)26;;/h13-17,23H,3-12H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/t13-,14+,15+,16-,17-,19-,20-,21-;;/m0../s1
InChIKey VKBOJMOLZPDIAW-YNYGSXNVSA-L
Mol Weight 554.57653856 g/mol
Molecular Formula C21H32Na2O10S2
Exact Mass 554.123228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EyQOzFM32fK
Name ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3,21-DISULFATE;17-ALPHA-HYDROXY-3-ALPHA,21-DISULFOOXY-5-ALPHA-PREGNAN-20-ONE-DISODIUM-SALT
Compound Number 27E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32Na2O10S2
InChI InChI=1S/C21H34O10S2.2Na/c1-19-8-5-14(31-33(27,28)29)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,23)18(22)12-30-32(24,25)26;;/h13-17,23H,3-12H2,1-2H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/t13-,14+,15+,16-,17-,19-,20-,21-;;/m0../s1
InChIKey VKBOJMOLZPDIAW-YNYGSXNVSA-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 554.579 g/mol
Sample ID 3417
Solvent Unknown