Phorbol-12,13-dibenzoate

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-benzoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate

CAS: 25405-85-0

Molecular Formula	`C34H36O8`
Molecular Weight	572.6 g/mol
LogP	3.6
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	572.241
Heavy Atoms	42
Complexity	1210.0

Chemical Identifiers

CAS Number	25405-85-0
SMILES	`CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6`
InChIKey	`FQHYQCXMFZHLAE-PNEATKGUSA-N`

📖 Product Overview

Phorbol-12,13-dibenzoate (CAS: 25405-85-0) is a chemical compound with molecular formula C34H36O8 and molecular weight 572.6 g/mol. Its IUPAC systematic name is [(1S,2S,6R,10S,11R,13S,14R,15R)-13-benzoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate. LogP 3.6 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 572.241 Heavy Atoms 42 Complexity 1210.0 InChI Key: FQHYQCXMFZHLAE-PNEATKGUSA-N. SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6.

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