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MKZGIRYQFQIPRY-YMCSBDECSA-N
SpectraBase Compound ID 40Iua5Gyoly
InChI InChI=1S/C38H46O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,28,30-32,40H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23+,26?,28+,30-,31+,32+,36-,37+,38+/m1/s1
InChIKey MKZGIRYQFQIPRY-MWDKKSNLSA-N
Mol Weight 694.8 g/mol
Molecular Formula C38H46O12
Exact Mass 694.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsRz6wxO3VF
Name MKZGIRYQFQIPRY-YMCSBDECSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O12
InChI InChI=1S/C38H46O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,28,30-32,40H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23+,26?,28+,30-,31+,32+,36-,37+,38+/m1/s1
InChIKey MKZGIRYQFQIPRY-MWDKKSNLSA-N
Literature Reference Author G.DING,Y.LI,S.FU,S.LIU,J.WEI,Y.CHE
Literature Reference Citation J.NAT.PROD.,72,182(2009)
Literature Reference DOI 10.1021/np800733y
Molecular Weight 694.776 g/mol
Sample ID 32101
Solvent CD3OD