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(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-8,15-DIHYDROXY-9-OXOJATROPHA-6(17),11-DIENE
SpectraBase Compound ID EMDWzVgCQEb
InChI InChI=1S/C33H42O11/c1-17-14-15-32(7,8)29(38)25(37)28(42-21(5)35)19(3)27(41-20(4)34)24-26(44-31(39)23-12-10-9-11-13-23)18(2)16-33(24,40)30(17)43-22(6)36/h9-15,17-18,24-28,30,37,40H,3,16H2,1-2,4-8H3/b15-14-/t17-,18+,24-,25-,26+,27+,28+,30-,33-/m0/s1
InChIKey YYRYPXZAUGCBGJ-ZSRHQGMESA-N
Mol Weight 614.7 g/mol
Molecular Formula C33H42O11
Exact Mass 614.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dv9DCZQy81
Name (2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-8,15-DIHYDROXY-9-OXOJATROPHA-6(17),11-DIENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O11
InChI InChI=1S/C33H42O11/c1-17-14-15-32(7,8)29(38)25(37)28(42-21(5)35)19(3)27(41-20(4)34)24-26(44-31(39)23-12-10-9-11-13-23)18(2)16-33(24,40)30(17)43-22(6)36/h9-15,17-18,24-28,30,37,40H,3,16H2,1-2,4-8H3/b15-14-/t17-,18+,24-,25-,26+,27+,28+,30-,33-/m0/s1
InChIKey YYRYPXZAUGCBGJ-ZSRHQGMESA-N
Literature Reference Author G.APPENDINO,S.JAKUPOVIC,G.C.TRON,J.JAKUPOVIC,V.MILON,M.BALLE RO
Literature Reference Citation J.NAT.PROD.,61,749(1998)
Literature Reference DOI 10.1021/np970507w
Molecular Weight 614.690 g/mol
Solvent CDCl3
Source File Reference UWCP185