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SESQUMAROCANOL-A-PENTAACETATE;4,4'',7'',9,9''-PENTAHYDROXY-3,3',3''-TRIMETHOXY-4',8'':7,9'-BIS-EPOXY-8,8'-SESQUINEOLIGNAN

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SESQUMAROCANOL-A-PENTAACETATE;4,4'',7'',9,9''-PENTAHYDROXY-3,3',3''-TRIMETHOXY-4',8'':7,9'-BIS-EPOXY-8,8'-SESQUINEOLIGNAN
SpectraBase Compound ID 8PNINERjVia
InChI InChI=1S/C40H46O15/c1-22(41)49-20-31-30(19-51-39(31)28-10-13-32(52-24(3)43)36(17-28)47-7)15-27-9-12-34(35(16-27)46-6)55-38(21-50-23(2)42)40(54-26(5)45)29-11-14-33(53-25(4)44)37(18-29)48-8/h9-14,16-18,30-31,38-40H,15,19-21H2,1-8H3/t30-,31-,38+,39+,40+/m1/s1
InChIKey XMANHJUDBOHVSB-GAKCOCLISA-N
Mol Weight 766.8 g/mol
Molecular Formula C40H46O15
Exact Mass 766.283671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93OsFemiU0K
Name SESQUMAROCANOL-A-PENTAACETATE;4,4'',7'',9,9''-PENTAHYDROXY-3,3',3''-TRIMETHOXY-4',8'':7,9'-BIS-EPOXY-8,8'-SESQUINEOLIGNAN
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O15
InChI InChI=1S/C40H46O15/c1-22(41)49-20-31-30(19-51-39(31)28-10-13-32(52-24(3)43)36(17-28)47-7)15-27-9-12-34(35(16-27)46-6)55-38(21-50-23(2)42)40(54-26(5)45)29-11-14-33(53-25(4)44)37(18-29)48-8/h9-14,16-18,30-31,38-40H,15,19-21H2,1-8H3/t30-,31-,38+,39+,40+/m1/s1
InChIKey XMANHJUDBOHVSB-GAKCOCLISA-N
Literature Reference Author A.F.BARRERO,A.HAIDOUR,M.M.DORADO,J.M.CUERVA
Literature Reference Citation PHYTOCHEM.,41,605(1996)
Literature Reference DOI 10.1016/0031-9422(95)00600-1
Molecular Weight 766.796 g/mol
Solvent CDCl3
Source File Reference UWLU3986