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benzoic acid [(1S,4E,6S,7S,9R,10R)-10-acetoxy-13-[(1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl]-7-hydroxy-4-methyl-8-methylene-11-oxabicyclo[7.4.0]trideca-4,12-dien-6-yl] ester
SpectraBase Compound ID BFDipNX01Pi
InChI InChI=1S/C33H40O10/c1-18(2)15-28(40-21(5)34)31(41-22(6)35)26-17-39-33(42-23(7)36)29-20(4)30(37)27(16-19(3)13-14-25(26)29)43-32(38)24-11-9-8-10-12-24/h8-12,15-17,25,27-31,33,37H,4,13-14H2,1-3,5-7H3/b19-16+/t25-,27+,28-,29+,30+,31+,33-/m1/s1
InChIKey BQOJFPTWLOFINV-HWZARPHISA-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 7bFYpynm9Sh
Name benzoic acid [(1S,4E,6S,7S,9R,10R)-10-acetoxy-13-[(1S,2R)-1,2-diacetoxy-4-methyl-pent-3-enyl]-7-hydroxy-4-methyl-8-methylene-11-oxabicyclo[7.4.0]trideca-4,12-dien-6-yl] ester
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O10
InChI InChI=1S/C33H40O10/c1-18(2)15-28(40-21(5)34)31(41-22(6)35)26-17-39-33(42-23(7)36)29-20(4)30(37)27(16-19(3)13-14-25(26)29)43-32(38)24-11-9-8-10-12-24/h8-12,15-17,25,27-31,33,37H,4,13-14H2,1-3,5-7H3/b19-16+/t25-,27+,28-,29+,30+,31+,33-/m1/s1
InChIKey BQOJFPTWLOFINV-HWZARPHISA-N
Literature Reference Author S.K.WANG,M.J.HUANG,C.Y.DUH
Literature Reference Citation J.NAT.PROD.,69,1411(2006)
Literature Reference DOI 10.1021/np0601253
Molecular Weight 596.675 g/mol
Solvent CDCl3
Source File Reference UWMZ15772