Dodecanoic Acid Ingenol Ester
Request a quote| Catalog Number | ACM54706706 |
| CAS | 54706-70-6 |
| IUPAC Name | [(1S,4S,5R,6R,9S,10R,12S,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate |
| Synonyms | 13-Oxyingenol dodecanoat |
| Molecular Weight | 546.74 |
| Molecular Formula | C32H50O7 |
| Canonical SMILES | CCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]34C=C([C@@H]([C@]3([C@@H](C(=C[C@@H]([C@@H]1C2(C)C)C4=O)CO)O)O)O)C)C |
| Inchi | InChI=1S/C32H50O7/c1-6-7-8-9-10-11-12-13-14-15-24(34)39-31-18-21(3)30-17-20(2)26(35)32(30,38)27(36)22(19-33)16-23(28(30)37)25(31)29(31,4)5/h16-17,21,23,25-27,33,35-36,38H,6-15,18-19H2,1-5H3/t21-,23+,25-,26+,27-,30+,31+,32-/m1/s1 |
| InChIKey | FEZDDYPHEHMXLF-YFQQJSGYSA-N |
| Boiling Point | 655.2±55.0 °C |
| Melting Point | >48 °C (dec.) |
| Purity | 98% |
| Density | 1.19±0.1 g/ml |
| Appearance | White to off-white solid |
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