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(8R,8'R,9R,8''R)-4',4'',9,9''-TETRAHYDROXY-3,3',3''-TRIMETHOXY-4,8'':9,9'-BIS-EPOXY-8'',8'-SESQUINEOLIGNAN
SpectraBase Compound ID 5oBP0NcXVF3
InChI InChI=1S/C38H44O13/c1-22(39)46-21-30(15-27-9-12-33(49-24(3)41)36(18-27)44-6)51-34-13-10-28(19-37(34)45-7)16-31-29(20-47-38(31)50-25(4)42)14-26-8-11-32(48-23(2)40)35(17-26)43-5/h8-13,17-19,29-31,38H,14-16,20-21H2,1-7H3
InChIKey XPFFRNFOYOWUDQ-UHFFFAOYSA-N
Mol Weight 708.8 g/mol
Molecular Formula C38H44O13
Exact Mass 708.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9D7KijTyCgN
Name (8R,8'R,9R,8''R)-4',4'',9,9''-TETRAHYDROXY-3,3',3''-TRIMETHOXY-4,8'':9,9'-BIS-EPOXY-8'',8'-SESQUINEOLIGNAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O13
InChI InChI=1S/C38H44O13/c1-22(39)46-21-30(15-27-9-12-33(49-24(3)41)36(18-27)44-6)51-34-13-10-28(19-37(34)45-7)16-31-29(20-47-38(31)50-25(4)42)14-26-8-11-32(48-23(2)40)35(17-26)43-5/h8-13,17-19,29-31,38H,14-16,20-21H2,1-7H3
InChIKey XPFFRNFOYOWUDQ-UHFFFAOYSA-N
Literature Reference Author A.F.BARRERO,A.HAIDOUR,M.M.DORADO,D.G.GRAVALOS,T.G.QUESADA
Literature Reference Citation J.NAT.PROD.,57,713(1994)
Literature Reference DOI 10.1021/np50108a005
Molecular Weight 708.760 g/mol
Solvent CDCl3
Source File Reference UWFP20