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3,8,12-O-TRIACETYL_7-BENZOATE

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3,8,12-O-TRIACETYL_7-BENZOATE
SpectraBase Compound ID KmGMqT0AnBh
InChI InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1
InChIKey LPVJWXJBZPCDLM-VGVAQDAQSA-N
Mol Weight 596.7 g/mol
Molecular Formula C33H40O10
Exact Mass 596.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LfHPigu7sMp
Name 3,8,12-O-TRIACETYL_7-BENZOATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O10
InChI InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1
InChIKey LPVJWXJBZPCDLM-VGVAQDAQSA-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 596.675 g/mol
Sample ID 32689
Solvent CDCl3