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EUPHOMELLIFERENE_B;3-BETA-BENZOYLOXY-15-BETA-HYDROXY-7-BETA,8-BETA,9-ALPHA,14-BETA-TETRACETOXY-2-ALPHA-H,13-ALPHA-H-JATROPHA-5-E,11-E-DIENE

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EUPHOMELLIFERENE_B;3-BETA-BENZOYLOXY-15-BETA-HYDROXY-7-BETA,8-BETA,9-ALPHA,14-BETA-TETRACETOXY-2-ALPHA-H,13-ALPHA-H-JATROPHA-5-E,11-E-DIENE
SpectraBase Compound ID Hj4thIrpH4B
InChI InChI=1S/C35H46O11/c1-19-15-16-34(8,9)32(45-25(7)39)30(43-23(5)37)29(42-22(4)36)20(2)17-27-28(46-33(40)26-13-11-10-12-14-26)21(3)18-35(27,41)31(19)44-24(6)38/h10-17,19,21,27-32,41H,18H2,1-9H3/b16-15+,20-17-/t19-,21-,27-,28-,29+,30-,31-,32+,35+/m0/s1
InChIKey LCHGAQCFENCJPB-XJEAQJEKSA-N
Mol Weight 642.7 g/mol
Molecular Formula C35H46O11
Exact Mass 642.304012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xGyvjumS4Z
Name EUPHOMELLIFERENE_B;3-BETA-BENZOYLOXY-15-BETA-HYDROXY-7-BETA,8-BETA,9-ALPHA,14-BETA-TETRACETOXY-2-ALPHA-H,13-ALPHA-H-JATROPHA-5-E,11-E-DIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O11
InChI InChI=1S/C35H46O11/c1-19-15-16-34(8,9)32(45-25(7)39)30(43-23(5)37)29(42-22(4)36)20(2)17-27-28(46-33(40)26-13-11-10-12-14-26)21(3)18-35(27,41)31(19)44-24(6)38/h10-17,19,21,27-32,41H,18H2,1-9H3/b16-15+,20-17-/t19-,21-,27-,28-,29+,30-,31-,32+,35+/m0/s1
InChIKey LCHGAQCFENCJPB-XJEAQJEKSA-N
Literature Reference Author I.VALENTE,M.REIS,N.DUARTE,J.SERLY,J.MOLNAR,M.J.U.FERREIRA
Literature Reference Citation J.NAT.PROD.,75,1915(2012)
Literature Reference DOI 10.1021/np3004003
Molecular Weight 642.744 g/mol
Sample ID 41593
Solvent CD3OD