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(2S*,3S*,4R*,5R*,9S*,13S*,15R*)-5-ACETOXY-3-BENZOYLOXY-9-CINNAMOYLOXY-15-HYDROXY-14-OXO-JATROPHA-6(17),11E-DIENE
SpectraBase Compound ID 1vCEJW8RbxF
InChI InChI=1S/C38H44O8/c1-24-17-19-30(45-31(40)20-18-28-13-9-7-10-14-28)37(5,6)22-21-25(2)35(41)38(43)23-26(3)34(32(38)33(24)44-27(4)39)46-36(42)29-15-11-8-12-16-29/h7-16,18,20-22,25-26,30,32-34,43H,1,17,19,23H2,2-6H3/b20-18+,22-21+/t25-,26-,30-,32-,33-,34-,38+/m0/s1
InChIKey BPSLLHCOGQQAAK-JVCJJWHTSA-N
Mol Weight 628.8 g/mol
Molecular Formula C38H44O8
Exact Mass 628.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQFJVIKiohP
Name (2S*,3S*,4R*,5R*,9S*,13S*,15R*)-5-ACETOXY-3-BENZOYLOXY-9-CINNAMOYLOXY-15-HYDROXY-14-OXO-JATROPHA-6(17),11E-DIENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O8
InChI InChI=1S/C38H44O8/c1-24-17-19-30(45-31(40)20-18-28-13-9-7-10-14-28)37(5,6)22-21-25(2)35(41)38(43)23-26(3)34(32(38)33(24)44-27(4)39)46-36(42)29-15-11-8-12-16-29/h7-16,18,20-22,25-26,30,32-34,43H,1,17,19,23H2,2-6H3/b20-18+,22-21+/t25-,26-,30-,32-,33-,34-,38+/m0/s1
InChIKey BPSLLHCOGQQAAK-JVCJJWHTSA-N
Literature Reference Author J.JAKUPOVIC,F.JESKE,T.MORGENSTERN,F.TSICHRITZIS,J.A.MARCO,W. BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1583(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00830-3
Molecular Weight 628.763 g/mol
Solvent CDCl3
Source File Reference UWMS822