Phorbol 12-tiglate 13-decanoate
[CAS# 59086-92-9]

Identification

• Name: Phorbol 12-tiglate 13-decanoate
• Synonyms: Phorbol 13-Decanoate 12-Tiglate; 5H-Cyclopropa(3,4)Benz(1,2-E)Azulen-5-One, 1,1A-Beta,1B-Alpha,4,4A,7A-Beta,7B,8,9,9A-Decahydro-4A-Alpha,7B-Beta,9-Alpha,9A-Beta-Tetrahydroxy-3-(Hydroxymethyl)-1,1,6,8-Beta-Tetramethyl-, 9A-Decanoate 9-(2-Methylcrotonate); Phorbol Caprate, Tiglate
• Molecular Formula: C₃₅H₅₂O₈
• Molecular Weight: 600.79
• CAS Registry Number: 59086-92-9
• SMILES: [C@@]14(OC(=O)CCCCCCCCC)[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
• InChI: 1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1
• InChIKey: QWYNFKKVBDGBLL-KFWZAFQTSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 696.155°C at 760 mmHg (Cal.)
• Flash point: 210.366°C (Cal.)