12-Deoxyphorbol 13-Isobutyrate
[CAS# 25090-74-8]

Identification

• Name: 12-Deoxyphorbol 13-Isobutyrate
• Synonyms: 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-4A-Beta,7B-Alpha,9A-Alpha-Trihydroxy-3-(Hydroxymethyl)-1,1,6,8-Alpha-Tetramethyl-, 9A-Isobutyrate; Propanoic Acid, 2-Methyl-, (1Ar,1Bs,4Ar,7As,7Br,8R,9As)-1,1A,1B4,4A,5,7A,8,9-Decahydro-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-9Ah-Cyclopropa(3,4)Benz(1,2-E)Azulen-9A-Yl Ester
• Molecular Formula: C₂₄H₃₄O₆
• Molecular Weight: 418.53
• CAS Registry Number: 25090-74-8
• SMILES: [C@@]24([C@H]([C@@H]1C=C(C[C@]3([C@H]([C@]1([C@@H](C2)C)O)C=C(C)C3=O)O)CO)C4(C)C)OC(=O)C(C)C
• InChI: 1S/C24H34O6/c1-12(2)20(27)30-23-9-14(4)24(29)16(18(23)21(23,5)6)8-15(11-25)10-22(28)17(24)7-13(3)19(22)26/h7-8,12,14,16-18,25,28-29H,9-11H2,1-6H3/t14-,16+,17-,18-,22-,23+,24-/m1/s1
• InChIKey: QSTFRCUXCBXJAW-CYZOKXGXSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 564.915°C at 760 mmHg (Cal.)
• Flash point: 188.614°C (Cal.)