12-O-2Z-4E-Octadienoyl-4-Deoxyphorbol-13-Acetate
[CAS 70028-76-1]

Identification

• Name: 12-O-2Z-4E-Octadienoyl-4-Deoxyphorbol-13-Acetate
• Synonyms: 13-O-Acetyl-12-O-(2'Z,4'E-Octadienoyl)-4Alpha-Deoxyphorbol; 13-O-Acetyl-12-O-(Z,E)-2,4-Octadienoyl-4-Desoxyphorbol; 2,4-Octadienoic Acid, (1Ar,1Bs,4Ar,7Ar,7Br,8R,9R,9As)-9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-7B-Hydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa[3,4]Benz[1,2-E]Azulen-9-Yl
• Molecular Formula: C₃₀H₄₀O₇
• Molecular Weight: 512.64
• CAS Registry Number: 70028-76-1
• SMILES: [C@H]12[C@](OC(=O)C)(C1(C)C)[C@H](OC(=O)\C=C/C=C/CCC)[C@H]([C@@]3(O)[C@H]2C=C(C[C@@H]4[C@H]3C=C(C4=O)C)CO)C
• InChI: 1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1
• InChIKey: ALKHEZOKTHCOBM-GTBZSHDQSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 630.8°C at 760 mmHg (Cal.)
• Flash point: 199.62°C (Cal.)