20-O-Acetylingenol-3-angelate

[(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-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

Also Known As: 20-O-Acetylingenol-3-angelate|Euphorbia factor Pe1|HY-N0868|TQ0099|CS-3915|ulen-6-yl (Z)-2-methylbut-2-enoate|[(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-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|(1aR,2R,5R,5aS,6S,8aS,9R,10aR)-4-(acetoxymethyl)-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]ann|(1S,4S,5S,6R,9S,10R,12R,14R)-7-[(acetyloxy)methyl]-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl (2Z)-2-methylbut-2-enoate|[(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetoxymethyl)-5,6-dihydroxy-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

Molecular Formula	C27H36O7
Molecular Weight	472.2461 g/mol
LogP	2.9031
Topological Polar Surface Area	110.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	472.2461
Monoisotopic Mass	472.2461
Heavy Atoms	34
Complexity	1033.5789

Chemical Identifiers

CAS Number	82425-35-2
SMILES	C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)COC(=O)C)O)O)C