12-O-Tetradeca-2,4,6,8-Tetraenoylphorbol-13-Acetate
[CAS# 64604-09-7]

Identification

• Name: 12-O-Tetradeca-2,4,6,8-Tetraenoylphorbol-13-Acetate
• Synonyms: 12-O-Tetradeca-2-Cis,4-Trans,6,8-Tetraenoylphorbol-13-Acetate; 2,4,6,8-Tetradecatetraenoic Acid, (1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester; 2,4,6,8-Tetradecatetraenoic Acid, 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1Aalpha,1Bbeta,4Abeta,7Aalpha,7Balpha,8Alpha,9Beta,9Aalpha))-
• Molecular Formula: C₃₆H₄₈O₈
• Molecular Weight: 608.77
• CAS Registry Number: 64604-09-7
• SMILES: [C@@]14(OC(=O)C)[C@@H](C1(C)C)[C@H]3[C@@](O)([C@H]2[C@@](O)(C(=O)C(=C2)C)CC(=C3)CO)[C@@H]([C@H]4OC(=O)\C=C\C=C\C=C\C=C\CCCCC)C
• InChI: 1S/C36H48O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h11-20,24,27-28,30,32,37,41-42H,7-10,21-22H2,1-6H3/b12-11+,14-13+,16-15+,18-17+/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
• InChIKey: YVKMFDXQIBCBHY-CEWIBAEJSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 731.065°C at 760 mmHg (Cal.)
• Flash point: 223.076°C (Cal.)