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

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EUPHOMELLIFERINE;3-BETA-BENZOYLOXY-15-BETA-HYDROXY-7-BETA,8-BETA,9-ALPHA-TRIACETOXY-14-OXO-2-BETA-H,13-ALPHA-H-JATROPHA-5-E,11-E-DIENE
SpectraBase Compound ID 1K4qup0kBWD
InChI InChI=1S/C33H42O10/c1-18-14-15-32(7,8)30(42-23(6)36)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(20(3)17-33(25,39)29(18)37)43-31(38)24-12-10-9-11-13-24/h9-16,18,20,25-28,30,39H,17H2,1-8H3/b15-14+,19-16-/t18-,20+,25-,26-,27+,28+,30-,33+/m0/s1
InChIKey GSKSGARIFBGQBN-FITCVGFHSA-N
Mol Weight 598.7 g/mol
Molecular Formula C33H42O10
Exact Mass 598.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14kKTDT0ToO
Name EUPHOMELLIFERINE;3-BETA-BENZOYLOXY-15-BETA-HYDROXY-7-BETA,8-BETA,9-ALPHA-TRIACETOXY-14-OXO-2-BETA-H,13-ALPHA-H-JATROPHA-5-E,11-E-DIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O10
InChI InChI=1S/C33H42O10/c1-18-14-15-32(7,8)30(42-23(6)36)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(20(3)17-33(25,39)29(18)37)43-31(38)24-12-10-9-11-13-24/h9-16,18,20,25-28,30,39H,17H2,1-8H3/b15-14+,19-16-/t18-,20+,25-,26-,27+,28+,30-,33+/m0/s1
InChIKey GSKSGARIFBGQBN-FITCVGFHSA-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 598.690 g/mol
Sample ID 41591
Solvent CDCl3