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2,3,6,8,9,15-HEXAACETOXY-5,21-EPOXY-7-ISOBUTYROYLOXY-14,21-DIOXO-17-ETHYLJATROPHA-11E-ENE
SpectraBase Compound ID 19b9fh5YuuK
InChI InChI=1S/C38H52O17/c1-18(2)34(47)52-33-28(48-20(4)39)32(50-22(6)41)35(10,11)15-13-19(3)29(46)38(55-25(9)44)17-36(12,53-23(7)42)30(49-21(5)40)27(38)31-37(33,54-24(8)43)16-14-26(45)51-31/h13,15,18-19,27-28,30-33H,14,16-17H2,1-12H3/b15-13+/t19-,27+,28-,30+,31+,32+,33+,36+,37-,38+/m0/s1
InChIKey CJVCPNYZFQYRIV-NWLBNYFQSA-N
Mol Weight 780.8 g/mol
Molecular Formula C38H52O17
Exact Mass 780.32045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RkP2taVYZN
Name 2,3,6,8,9,15-HEXAACETOXY-5,21-EPOXY-7-ISOBUTYROYLOXY-14,21-DIOXO-17-ETHYLJATROPHA-11E-ENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52O17
InChI InChI=1S/C38H52O17/c1-18(2)34(47)52-33-28(48-20(4)39)32(50-22(6)41)35(10,11)15-13-19(3)29(46)38(55-25(9)44)17-36(12,53-23(7)42)30(49-21(5)40)27(38)31-37(33,54-24(8)43)16-14-26(45)51-31/h13,15,18-19,27-28,30-33H,14,16-17H2,1-12H3/b15-13+/t19-,27+,28-,30+,31+,32+,33+,36+,37-,38+/m0/s1
InChIKey CJVCPNYZFQYRIV-NWLBNYFQSA-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 780.821 g/mol
Solvent CDCl3
Source File Reference UWMS824