Phorbol 12,13,20-triacetate
[CAS# 19891-05-5]

Identification

• Name: Phorbol 12,13,20-triacetate
• Synonyms: Phorbol Triacetate; 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 1,1A-Alpha,1B-Beta,4,4A,7A-Alpha,7B,8,9,9A-Decahydro-3-(Hydroxymethyl)-4A-Beta,7B-Alpha,9-Beta,9A-Alpha-Tetrahydroxy-1,1,6,8-Alpha-Tetramethyl-, 3,9,9A-Triacetate, (+)-; 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 9,9A-Bis(Acetyloxy)-3-((Acetyloxy)Methyl)-1,1A,1B,4,4A,7A,7B,8,9,9A-Decahydro-4A,7B-Dihydroxy-1,1,6,8-Tetramethyl-, (1Ar,1Bs,4Ar,7As,7Bs,8R,9R)-
• Molecular Formula: C₂₆H₃₄O₉
• Molecular Weight: 490.55
• CAS Registry Number: 19891-05-5
• SMILES: [C@@H]12C=C(C([C@]1(CC(=C[C@@H]3[C@@]2([C@@H]([C@H](C4([C@H]3C4(C)C)OC(=O)C)OC(=O)C)C)O)COC(=O)C)O)=O)C
• InChI: 1S/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3/t13-,18+,19-,20-,22-,24-,25-,26?/m1/s1
• InChIKey: LASMKIAVFGUYEG-SNMHUSDHSA-N

Properties

• Density: 1.324g/cm³ (Cal.)
• Boiling point: 589.612°C at 760 mmHg (Cal.)
• Flash point: 191.088°C (Cal.)