12-O-Acetylphorbol 13-decanoate
[CAS# 16561-28-7]

Identification

• Name: 12-O-Acetylphorbol 13-decanoate
• Synonyms: Aids-087546; Aids087546; Decanoic Acid, (1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-9-(Acetyloxy)-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-9Ah-Cyclopropa[3,4]Benz[1,2-E]Azulen-9A-Yl Ester
• Molecular Formula: C₃₂H₄₈O₈
• Molecular Weight: 560.73
• CAS Registry Number: 16561-28-7 (20839-15-0)
• SMILES: [C@@]24([C@H]([C@@H]1C=C(C[C@]3([C@H]([C@]1([C@@H]([C@H]2OC(=O)C)C)O)C=C(C)C3=O)O)CO)C4(C)C)OC(=O)CCCCCCCCC
• InChI: 1S/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)40-32-26(29(32,5)6)23-16-22(18-33)17-30(37)24(15-19(2)27(30)36)31(23,38)20(3)28(32)39-21(4)34/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1
• InChIKey: CSJWNHJJHIAAIG-SVOQZPEWSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 661.093°C at 760 mmHg (Cal.)
• Flash point: 203.628°C (Cal.)