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SESQUMAROCANOL-B-HEXAACETATE;4,4'',7'',9,9',9''-HEXAHYDROXY-3,3',3''-TRIMETHOXY-4',8''-EPOXY-8,8'-SESQUINEOLIGNAN-HEXAACETATE

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SESQUMAROCANOL-B-HEXAACETATE;4,4'',7'',9,9',9''-HEXAHYDROXY-3,3',3''-TRIMETHOXY-4',8''-EPOXY-8,8'-SESQUINEOLIGNAN-HEXAACETATE
SpectraBase Compound ID AoWRnx3NSeu
InChI InChI=1S/C42H50O16/c1-24(43)52-21-33(16-30-10-13-35(55-27(4)46)38(18-30)49-7)34(22-53-25(2)44)17-31-11-14-37(39(19-31)50-8)58-41(23-54-26(3)45)42(57-29(6)48)32-12-15-36(56-28(5)47)40(20-32)51-9/h10-15,18-20,33-34,41-42H,16-17,21-23H2,1-9H3/t33-,34+,41+,42+/m1/s1
InChIKey JFTGMLWWLKWQJF-VSZAELFLSA-N
Mol Weight 810.8 g/mol
Molecular Formula C42H50O16
Exact Mass 810.309886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DRT0O6QWlF
Name SESQUMAROCANOL-B-HEXAACETATE;4,4'',7'',9,9',9''-HEXAHYDROXY-3,3',3''-TRIMETHOXY-4',8''-EPOXY-8,8'-SESQUINEOLIGNAN-HEXAACETATE
Compound Number 7A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50O16
InChI InChI=1S/C42H50O16/c1-24(43)52-21-33(16-30-10-13-35(55-27(4)46)38(18-30)49-7)34(22-53-25(2)44)17-31-11-14-37(39(19-31)50-8)58-41(23-54-26(3)45)42(57-29(6)48)32-12-15-36(56-28(5)47)40(20-32)51-9/h10-15,18-20,33-34,41-42H,16-17,21-23H2,1-9H3/t33-,34+,41+,42+/m1/s1
InChIKey JFTGMLWWLKWQJF-VSZAELFLSA-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 810.849 g/mol
Solvent CDCl3
Source File Reference UWLU3987