Phorbol 12,13-Dibenzoate
[CAS# 25405-85-0]

Identification

• Name: Phorbol 12,13-Dibenzoate
• Synonyms: Aids-001980; 5H-Cyclopropa[3,4]Benz[1,2-E]Azulen-5-One, 9,9A-Bis(Benzoyloxy)-1,1A,1B,4,4A,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-, (1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-; Nsc262643
• Molecular Formula: C₃₄H₃₆O₈
• Molecular Weight: 572.65
• CAS Registry Number: 25405-85-0
• SMILES: [C@@]23(OC(=O)C1=CC=CC=C1)[C@@H](C2(C)C)[C@H]5[C@@]([C@@H]([C@H]3OC(=O)C4=CC=CC=C4)C)(O)[C@H]6[C@@](CC(=C5)CO)(O)C(C(=C6)C)=O
• InChI: 1S/C34H36O8/c1-19-15-25-32(39,27(19)36)17-21(18-35)16-24-26-31(3,4)34(26,42-30(38)23-13-9-6-10-14-23)28(20(2)33(24,25)40)41-29(37)22-11-7-5-8-12-22/h5-16,20,24-26,28,35,39-40H,17-18H2,1-4H3/t20-,24+,25-,26-,28-,32-,33-,34-/m1/s1
• InChIKey: FQHYQCXMFZHLAE-PNEATKGUSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 725.746°C at 760 mmHg (Cal.)
• Flash point: 231.184°C (Cal.)