| SpectraBase Spectrum ID |
HyV2CPLUCDU |
| Name |
3-O-angeloyl-17-(benzoyloxy)-ingenol |
| Alternate Name(s) |
[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 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H38O8 |
| InChI |
InChI=1S/C32H38O8/c1-7-16(2)28(36)40-27-19(5)25(34)31-18(4)14-22-23(21(26(31)35)13-17(3)24(33)32(27,31)38)30(22,6)15-39-29(37)20-11-9-8-10-12-20/h7-13,18,21-24,27,33-34,38H,14-15H2,1-6H3/b16-7+/t18-,21-,22-,23+,24?,27?,30?,31-,32?/m0/s1 |
| InChIKey |
CDLZJZSZBOSYLJ-YITVWPSGSA-N |
| Molecular Weight |
550.648 g/mol |
| SMILES |
OC=1[C@@]23C(C(C1C)OC(\C(=C\C)C)=O)(C(C(=C[C@](C3=O)([C@@]1([C@@](C1(COC(=O)c1ccccc1)C)(C[C@@]2(C)[H])[H])[H])[H])C)O)O |
| SPLASH |
splash10-001i-5901500000-289a9f7a577693a1e97f |
| Source of Spectrum |
C-88-3149-6 |
| Wiley ID |
1590582 |
