SpectraBase Compound ID | DA4zROpewnL |
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InChI | InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)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 | BMSQOSCSLGJQPZ-FUXMVPHISA-N |
Mol Weight | 498.7 g/mol |
Molecular Formula | C30H42O6 |
Exact Mass | 498.298139 g/mol |
SpectraBase Spectrum ID | HwXTL8FdPKW |
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Name | 5-O-(2'E,4'E-DECADIENOYL)-INGENOL |
Compound Number | 9 |
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)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)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 | BMSQOSCSLGJQPZ-FUXMVPHISA-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 | UWSI5148 |