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sodium [6-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2-formyl-3,4-dihydroxyphenyl] sulfate

View entire compound with spectra: 1 NMR

sodium [6-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2-formyl-3,4-dihydroxyphenyl] sulfate
SpectraBase Compound ID LLBhJGAHZqk
InChI InChI=1S/C22H30O7S.Na/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28;/h6,11-12,16,18,24-25H,5,7-10H2,1-4H3,(H,26,27,28);/q;+1/p-1/t16?,18?,22-;/m1./s1
InChIKey OBZGWTUHUUZXCJ-MZGYTODCSA-M
Mol Weight 460.52 g/mol
Molecular Formula C22H29NaO7S
Exact Mass 460.153169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L27lxOA2Ypr
Name sodium [6-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2-formyl-3,4-dihydroxyphenyl] sulfate
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NaO7S
InChI InChI=1S/C22H30O7S.Na/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28;/h6,11-12,16,18,24-25H,5,7-10H2,1-4H3,(H,26,27,28);/q;+1/p-1/t16?,18?,22-;/m1./s1
InChIKey OBZGWTUHUUZXCJ-MZGYTODCSA-M
Literature Reference Author V.J.R.V.MUKKU,R.A.EDRADA,F.J.SCHMITZ,M.K.SHANKS,B.CHAUDHURI, D.FABBRO
Literature Reference Citation J.NAT.PROD.,66,686(2003)
Literature Reference DOI 10.1021/np0205506
Molecular Weight 460.518 g/mol
Solvent CD3OD
Source File Reference UWSI7782