4-O-Methylphorbol 12-myristate 13-acetate
[CAS# 57716-89-9]

Identification

• Name: 4-O-Methylphorbol 12-myristate 13-acetate
• Synonyms: Tetradecanoic Acid, (1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-7B-Hydroxy-3-(Hydroxymethyl)-4A-Methoxy-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa[3,4]Benz[1,2-E]Azulen-9-Yl Ester; Nsc262645; Phorbol-13-Acetate,-4-O-Methyl-12-Tetradecanoyl-
• Molecular Formula: C₃₇H₅₈O₈
• Molecular Weight: 630.86
• CAS Registry Number: 57716-89-9
• SMILES: [C@@]12(OC(C)=O)[C@@H](C1(C)C)[C@H]3[C@@]([C@@H]([C@H]2OC(CCCCCCCCCCCCC)=O)C)(O)[C@H]4[C@@](CC(=C3)CO)(OC)C(C(=C4)C)=O
• InChI: 1S/C37H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-30(40)44-33-25(3)36(42)28(31-34(5,6)37(31,33)45-26(4)39)21-27(23-38)22-35(43-7)29(36)20-24(2)32(35)41/h20-21,25,28-29,31,33,38,42H,8-19,22-23H2,1-7H3/t25-,28+,29-,31-,33-,35-,36-,37-/m1/s1
• InChIKey: VCWNAJUHTLWQQT-XCHBPHIQSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 684.37°C at 760 mmHg (Cal.)
• Flash point: 200.626°C (Cal.)