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ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3-SULFATE;17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNANE-11,20-DIONE-SODIUM-SALT

View entire compound with spectra: 1 NMR

ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3-SULFATE;17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNANE-11,20-DIONE-SODIUM-SALT
SpectraBase Compound ID Fpin8LuByLM
InChI InChI=1S/C21H32O8S.Na/c1-19-7-5-13(29-30(26,27)28)9-12(19)3-4-14-15-6-8-21(25,17(24)11-22)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
InChIKey QTBNUVDSETUEOE-GPHTZSDJSA-M
Mol Weight 466.52 g/mol
Molecular Formula C21H31NaO8S
Exact Mass 466.163733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Q1WDWMSrKI
Name ALLO-TETRAHYDRO-11-DEOXYCORTISOL-3-SULFATE;17-ALPHA,21-DIHYDROXY-3-ALPHA-SULFOOXY-5-ALPHA-PREGNANE-11,20-DIONE-SODIUM-SALT
Compound Number 23D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31NaO8S
InChI InChI=1S/C21H32O8S.Na/c1-19-7-5-13(29-30(26,27)28)9-12(19)3-4-14-15-6-8-21(25,17(24)11-22)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
InChIKey QTBNUVDSETUEOE-GPHTZSDJSA-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 466.522 g/mol
Sample ID 3412
Solvent Unknown