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(-)-(7'-S,7''-S,8-R,8'-S,8''-R)-4,4''-DIHYDROXY-3',3'',5-TRIMETHOXY-4',8''-OXY-8,8'-SESQUINEOLIGNAN-7''-OL
SpectraBase Compound ID 4TWuiryzAMS
InChI InChI=1S/C30H36O7/c1-16-11-21-14-27(35-5)24(32)15-22(21)29(17(16)2)19-8-10-25(28(12-19)36-6)37-18(3)30(33)20-7-9-23(31)26(13-20)34-4/h7-10,12-18,29-33H,11H2,1-6H3/t16-,17+,18-,29+,30+/m1/s1
InChIKey RTEFJNPAHOVWCX-IAIIEBEESA-N
Mol Weight 508.6 g/mol
Molecular Formula C30H36O7
Exact Mass 508.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeHOUgcKqcK
Name (-)-(7'-S,7''-S,8-R,8'-S,8''-R)-4,4''-DIHYDROXY-3',3'',5-TRIMETHOXY-4',8''-OXY-8,8'-SESQUINEOLIGNAN-7''-OL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O7
InChI InChI=1S/C30H36O7/c1-16-11-21-14-27(35-5)24(32)15-22(21)29(17(16)2)19-8-10-25(28(12-19)36-6)37-18(3)30(33)20-7-9-23(31)26(13-20)34-4/h7-10,12-18,29-33H,11H2,1-6H3/t16-,17+,18-,29+,30+/m1/s1
InChIKey RTEFJNPAHOVWCX-IAIIEBEESA-N
Literature Reference Author Y.LI,W.CHENG,C.ZHU,C.YAO,L.XIONG,Y.TIAN,S.WANG,S.LIN,J.HU,Y. YANG,Y.GUO,Y.YANG,Y.
Literature Reference Citation J.NAT.PROD.,74,1444(2011)
Literature Reference DOI 10.1021/np2001896
Molecular Weight 508.612 g/mol
Sample ID 38463
Solvent CDCl3