| Synonyms |
Dodecanoic acid ingenol ester;54706-70-6;13-Oxyingenol-13-dodecanoate;13-Oxyingenol dodecanoat;[(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;Dodecanoic acid ingenol ester?;CHEMBL4282466;SCHEMBL21969821;HY-N0867;MFCD30478893;CS-3914;DA-52651;MS-30025;A870376;[trihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] dodecanoate;Dodecanoic acid, (1aR,2S,5R,5aR,6S,8aS,9R,10aS)-1,1a,2,5,5a,6,9,10-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-10aH-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-10a-yl ester; |
| 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 |
| Molecular Weight |
466.5 |
| Molecular Formula |
C26H30N2O6 |
| Canonical SMILES |
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O |
| 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 |
| Melting Point |
>48 °C |
| Purity |
≥95% |
| Solubility |
Soluble in DMSO |
| Appearance |
Solid |
| Application |
Anti-tumor activity |
| Shelf Life |
As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly |
| Storage |
Store at -20 °C |
![{PARAM:[Name]}()](https://resource.bocsci.com/structure/54706-70-62d.gif)
