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10-BETA-BENZOXY-5-ALPHA-CINNAMOXY-1-BETA-HYDROXY-7-BETA,9-ALPHA,13-ALPHA-TRIACETOXY-11(15->1)-ABEOTAXA-4(20),11-DIENE
SpectraBase Compound ID AMOoQNs009S
InChI InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
InChIKey MWIQLLBFLJOMOS-MHXMLUCXSA-N
Mol Weight 728.8 g/mol
Molecular Formula C42H48O11
Exact Mass 728.319662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGxFfhIbbyA
Name 10-BETA-BENZOXY-5-ALPHA-CINNAMOXY-1-BETA-HYDROXY-7-BETA,9-ALPHA,13-ALPHA-TRIACETOXY-11(15->1)-ABEOTAXA-4(20),11-DIENE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O11
InChI InChI=1S/C42H48O11/c1-24-31-22-42(40(6,7)48)23-33(49-26(3)43)25(2)36(42)37(53-39(47)30-17-13-10-14-18-30)38(51-28(5)45)41(31,8)34(50-27(4)44)21-32(24)52-35(46)20-19-29-15-11-9-12-16-29/h9-20,31-34,37-38,48H,1,21-23H2,2-8H3/b20-19+/t31-,32+,33+,34+,37-,38+,41+,42+/m1/s1
InChIKey MWIQLLBFLJOMOS-MHXMLUCXSA-N
Literature Reference Author A.CHU,M.FURLAN,L.B.DAVIN,J.ZAJICEK,G.H.N.TOWERS,C.M.SOUCY-BR EAU,S.J.RETTING,R.CR
Literature Reference Citation PHYTOCHEM.,36,975(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90475-8
Molecular Weight 728.837 g/mol
Solvent CDCl3
Source File Reference UWMS26034