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(1S,3S,3aS,6aS)-4-hydroxy-3-(4-hydroxy-3-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1,3,3a,6a-tetrahydrocyclopenta[c]furan-6-one

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(1S,3S,3aS,6aS)-4-hydroxy-3-(4-hydroxy-3-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1,3,3a,6a-tetrahydrocyclopenta[c]furan-6-one
SpectraBase Compound ID FIzJXfNRYvv
InChI InChI=1S/C21H20O8/c1-26-16-7-10(3-5-12(16)22)20-18-14(24)9-15(25)19(18)21(29-20)28-11-4-6-13(23)17(8-11)27-2/h3-9,18-23,25H,1-2H3/t18-,19+,20+,21+/m0/s1
InChIKey LPBFKGSGNVHPAY-DOIPELPJSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hdEppEdBRf
Name (1S,3S,3aS,6aS)-4-hydroxy-3-(4-hydroxy-3-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1,3,3a,6a-tetrahydrocyclopenta[c]furan-6-one
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-26-16-7-10(3-5-12(16)22)20-18-14(24)9-15(25)19(18)21(29-20)28-11-4-6-13(23)17(8-11)27-2/h3-9,18-23,25H,1-2H3/t18-,19+,20+,21+/m0/s1
InChIKey LPBFKGSGNVHPAY-DOIPELPJSA-N
Literature Reference Author G.TOTH,M.ROTH,B.WECKERLE,P.SCHREIER
Literature Reference Citation MAGN.RES.CHEM.,38,51(2000)
Literature Reference DOI 10.1002/(sici)1097-458x(200001)38:1<51::aid-mrc593>3.3.co;2-u
Molecular Weight 400.385 g/mol
Solvent ACETONE-D6
Source File Reference UWBS1252