Phorbol 12-phenylacetate 13-acetate 20-homovanillate
[CAS# 175796-50-6]

Identification

• Name: Phorbol 12-phenylacetate 13-acetate 20-homovanillate
• Synonyms: Ppahv; Phorbol 12-Phenylacetate 13-Acetate 20-Homovanillate; Ncgc00162421-01
• Molecular Formula: C₃₉H₄₄O₁₁
• Molecular Weight: 688.77
• CAS Registry Number: 175796-50-6
• SMILES: [C@H]13[C@](OC(=O)C)(C1(C)C)[C@H](OC(=O)CC2=CC=CC=C2)[C@H]([C@@]4(O)[C@H]3C=C(C[C@@]5(O)[C@H]4C=C(C5=O)C)COC(=O)CC6=CC=C(O)C(=C6)OC)C
• InChI: 1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37-,38-,39-/m1/s1
• InChIKey: OGRGWTXWAZBJKF-JXWJAAHMSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 792.419°C at 760 mmHg (Cal.)
• Flash point: 241.077°C (Cal.)
• solubility: Soluble in DMSO and in ethanol