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ALLO-TETRAHYDROCORTISOL-21-SULFATE;3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
SpectraBase Compound ID 2fm8A1yD2Od
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
InChIKey SKEXELGHSMBKSL-LUDNIYIXSA-M
Mol Weight 468.5 g/mol
Molecular Formula C21H33NaO8S
Exact Mass 468.179383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbH2eHfrrgC
Name ALLO-TETRAHYDROCORTISOL-21-SULFATE;3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT
Compound Number 21D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33NaO8S
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
InChIKey SKEXELGHSMBKSL-LUDNIYIXSA-M
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 468.538 g/mol
Sample ID 3410
Solvent Unknown