Phorbol 13-Myristate
[CAS# 115905-51-6]

Identification

• Name: Phorbol 13-Myristate
• Synonyms: (1aS,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl myristate; (1aS,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-Trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-ylmyristat
• Molecular Formula: C₃₄H₅₄O₇
• Molecular Weight: 574.79
• CAS Registry Number: 115905-51-6
• SMILES: CCCCCCCCCCCCCC(=O)O[C@@]12[C@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2O)C)O)C=C(C4=O)C)O)CO
• InChI: 1S/C34H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)41-34-28(31(34,4)5)25-19-24(21-35)20-32(39)26(18-22(2)29(32)37)33(25,40)23(3)30(34)38/h18-19,23,25-26,28,30,35,38-40H,6-17,20-21H2,1-5H3/t23-,25+,26-,28+,30-,32-,33-,34-/m1/s1
• InChIKey: CESGKXMBHGUQTB-JWHXDPQNSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 690.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 210.0±25.0°C (Cal.)
• Refractive index: 1.564 (Cal.)