((1aR,2R,5R,5aS,6S,8aS,9R,10aR)-6-(Benzoyloxy)-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]annulen-4-yl)methyl benzoate, 99.31%, 99.31%

cas: 59086-90-7 — see every product listed under this CAS number, including other names

((1aR,2R,5R,5aS,6S,8aS,9R,10aR)-6-(Benzoyloxy)-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]annulen-4-yl)methyl benzoate, 99.31%, 99.31% (CAS 59086-90-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg. Offered by: Chemat.

• 2D
• 3D

Ingenol 3,20-dibenzoate is a benzoate ester.

Source: ChEBI

Identity

Molecular formula	C34H36O7
Molecular weight	556.6 g/mol
IUPAC name	[(1S,4S,5S,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate
InChIKey	GIMKEHNOTHXONN-NXBFFCPZSA-N
SMILES	C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6

Computed by PubChem (NCBI)

Synonyms: Ingenol 3,20-dibenzoate, (benzoyloxy-dihydroxy-tetramethyl-oxo-[?]yl)methyl benzoate, (+)-DIP-Bromide, Ingenol-3,20-dibenzoate

Isomers (same molecular formula)

(2S,3R,4S,5R,6R)-2-(4-methoxyphenoxy)-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol C₃₄H₃₆O₇

[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol C₃₄H₃₆O₇

(2S,3S,4S,5S,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol C₃₄H₃₆O₇