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3-O-(2'E,4'E-Decadienoyl)ingenol
SpectraBase Compound ID GF7x4ogyYvw
InChI InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1
InChIKey XMXZQPNIMGCMHC-RIEFUZAHSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H42O6
Exact Mass 498.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN3YBYMfPGB
Name 3-O-(2'E,4'E-DECADIENOYL)-INGENOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O6
InChI InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1
InChIKey XMXZQPNIMGCMHC-RIEFUZAHSA-N
Literature Reference Author L.Y.WANG,N.L.WANG,X.S.YAO,S.MIYATA,S.KITANAKA
Literature Reference Citation J.NAT.PROD.,65,1246(2002)
Literature Reference DOI 10.1021/np0200921
Molecular Weight 498.660 g/mol
Solvent CDCl3
Source File Reference UWSI5145