ingenol

CAS: 30220-46-3

Formula: C20H28O5

SMILES: [H][C@]12C=C(CO)[C@@H](O)[C@]3(O)[C@@H](O)C(C)=C[C@]3([C@H](C)C[C@@H]3[C@H]1C3(C)C)C2=O

IUPAC: (1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.0¹,⁵.0¹⁰,¹²]pentadeca-2,7-dien-15-one

InChI: InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13+,14-,15-,16+,19+,20-/m0/s1

Composition: C (68.94%), H (8.10%), O (22.96%)

Molar Mass: 348.439

Atom Count: 53

Heavy Atom Count: 25