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12-O-ACETYL-2-EPI-INGOL-3,8-DIBENZOATE

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12-O-ACETYL-2-EPI-INGOL-3,8-DIBENZOATE
SpectraBase Compound ID KtDyztRxATe
InChI InChI=1S/C36H40O9/c1-19-17-36-31(44-33(41)24-15-11-8-12-16-24)20(2)18-35(36,45-36)30(39)21(3)28(42-22(4)37)25-26(34(25,5)6)29(27(19)38)43-32(40)23-13-9-7-10-14-23/h7-17,20-21,25-29,31,38H,18H2,1-6H3/b19-17+/t20-,21-,25+,26-,27-,28-,29+,31+,35+,36+/m1/s1
InChIKey CYKBATSQYYKRDV-CEJPBEFTSA-N
Mol Weight 616.7 g/mol
Molecular Formula C36H40O9
Exact Mass 616.267233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aSW1xp4ayG
Name 12-O-ACETYL-2-EPI-INGOL-3,8-DIBENZOATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O9
InChI InChI=1S/C36H40O9/c1-19-17-36-31(44-33(41)24-15-11-8-12-16-24)20(2)18-35(36,45-36)30(39)21(3)28(42-22(4)37)25-26(34(25,5)6)29(27(19)38)43-32(40)23-13-9-7-10-14-23/h7-17,20-21,25-29,31,38H,18H2,1-6H3/b19-17+/t20-,21-,25+,26-,27-,28-,29+,31+,35+,36+/m1/s1
InChIKey CYKBATSQYYKRDV-CEJPBEFTSA-N
Literature Reference Author X.L.LI,Y.LI,S.F.WANG,Y.L.ZHAO,K.C.LIU,X.M.WANG,Y.P.YANG
Literature Reference Citation J.NAT.PROD.,72,1001(2009)
Literature Reference DOI 10.1021/np800816n
Molecular Weight 616.708 g/mol
Sample ID 32692
Solvent CDCl3