Ingenol-3-mebutate
SPECIFICATION
| Catalog ID: | I-610 |
|---|---|
| CAS #: | 75567-37-2 |
| Formula: | C25H34O6 |
| MW: | 430.53 g/mol |
| Storage/handling: | Store at 4°C. |
| PubChem Chemical ID: | 6918670 |
| IUPAC Name: | [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate |
| InChI: | InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1 |
| InChIKey: | VDJHFHXMUKFKET-WDUFCVPESA-N |
| SMILES: | CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C |