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3',4'-DI-O-METHYLBUTIN-7-O-[(6''->1''')-3''',11'''-DIMETHYL-7'''-METHYLENEDODECA-3''',10'''-DIENYL]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID A9EnmO3DKj
InChI InChI=1S/C38H48O11/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-34(40)46-21-33-35(41)36(42)37(43)38(49-33)47-26-14-15-27-28(39)20-30(48-31(27)19-26)25-13-16-29(44-5)32(18-25)45-6/h9,12-16,18-19,30,33,35-38,41-43H,3,7-8,10-11,17,20-21H2,1-2,4-6H3/b24-12+/t30-,33+,35+,36-,37+,38+/m1/s1
InChIKey KFXHIWLRQIBCID-SRPQYLJGSA-N
Mol Weight 680.8 g/mol
Molecular Formula C38H48O11
Exact Mass 680.319662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51QnFGUzAfA
Name 3',4'-DI-O-METHYLBUTIN-7-O-[(6''->1''')-3''',11'''-DIMETHYL-7'''-METHYLENEDODECA-3''',10'''-DIENYL]-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H48O11
InChI InChI=1S/C38H48O11/c1-22(2)9-7-10-23(3)11-8-12-24(4)17-34(40)46-21-33-35(41)36(42)37(43)38(49-33)47-26-14-15-27-28(39)20-30(48-31(27)19-26)25-13-16-29(44-5)32(18-25)45-6/h9,12-16,18-19,30,33,35-38,41-43H,3,7-8,10-11,17,20-21H2,1-2,4-6H3/b24-12+/t30-,33+,35+,36-,37+,38+/m1/s1
InChIKey KFXHIWLRQIBCID-SRPQYLJGSA-N
Literature Reference Author I.M.CHUNG,A.AHMAD,M.ALI,O.K.LEE,M.Y.KIM,J.H.KIM,D.Y.YOON,C.A .M.PEEBLES,K.Y.SAN
Literature Reference Citation J.NAT.PROD.,72,613(2009)
Literature Reference DOI 10.1021/np800378q
Molecular Weight 680.793 g/mol
Sample ID 32352
Solvent CD3OD