| SpectraBase Spectrum ID |
MITnykPOkq |
| Name |
20-O-acetyl-3-O-angeloyl-17-(benzoyloxy)-ingenol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H40O9 |
| InChI |
InChI=1S/C34H40O9/c1-7-18(2)30(38)43-29-19(3)15-33-20(4)13-25-26(32(25,6)17-42-31(39)22-11-9-8-10-12-22)24(28(33)37)14-23(16-41-21(5)35)27(36)34(29,33)40/h7-12,14-15,20,24-27,29,36,40H,13,16-17H2,1-6H3/b18-7+ |
| InChIKey |
DGQIZQRUSHXSKY-CNHKJKLMSA-N |
| Molecular Weight |
592.685 g/mol |
| SMILES |
OC1C(=CC2C(C3(C1(C(C(=C3)C)OC(\C(=C\C)C)=O)O)C(CC1C2C1(COC(=O)c1ccccc1)C)C)=O)COC(=O)C |
| SPLASH |
splash10-053r-4922500000-fdf9eb974ee5083cc567 |
| Source of Spectrum |
C-88-3149-7 |
| Synonyms |
(7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,14-trimethyl-4-{[(2E)-2-methyl-2-butenoyl]oxy}-15-oxotetracyclo[7.5.1.0(1,5).0(10,12)]pentadeca-2,7-dien-11-yl)methyl benzoate
[Octahydro-1-(benzoyloxy)-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-4-yl]-methyl 2-Methylbut-2-enoate |
| Wiley ID |
1590581 |
