[(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-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] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Base Information

• Chemical Name: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-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] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
• CAS No.: 80188-99-4
• Molecular Formula: C42H56 O8
• Molecular Weight: 688.89
• European Community (EC) Number: 635-965-2
• Mol file: 80188-99-4.mol

Synonyms:12-O-retinoylphorbol-13-acetate;12-ORPA;phorbol-12-retinoate-13-acetate

Chemical Property of [(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-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] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Chemical Property:

• Vapor Pressure: 2E-28mmHg at 25°C
• Refractive Index: 1.591
• Boiling Point: 784.4°C at 760 mmHg
• Flash Point: 231.2°C
• PSA: 130.36000
• Density: 1.2g/cm³
• LogP: 6.58340
• Storage Temp.: −20°C
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 688.39751874
• Heavy Atom Count: 50
• Complexity: 1680

Purity/Quality:

98%Min ^*data from raw suppliers

Phorbol 12-retinoate 13-acetate ≥95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+
• Statements: 26/27/28-36/37/38
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C
• Isomeric SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C