12-Deoxy-phorbol 20-acetate 13-isobutyrate
[CAS# 25090-71-5]

Identification

• Name: 12-Deoxy-phorbol 20-acetate 13-isobutyrate
• Synonyms: 12-Deoxyphorbol-13-(2-Methylpropionate)-20-Acetate; 12-Deoxyphorbol-13-Isobutyrate-20-Acetate; 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-(Acetoxymethyl)-1,1,6,8-Alpha-Tetramethyl-4A-Beta,7B-Alpha,9A-Alpha-Trihydroxy-, 9A-Isobutyrate
• Molecular Formula: C₂₆H₃₆O₇
• Molecular Weight: 460.57
• CAS Registry Number: 25090-71-5
• 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)COC(=O)C)C4(C)C)OC(=O)C(C)C
• InChI: 1S/C26H36O7/c1-13(2)22(29)33-25-10-15(4)26(31)18(20(25)23(25,6)7)9-17(12-32-16(5)27)11-24(30)19(26)8-14(3)21(24)28/h8-9,13,15,18-20,30-31H,10-12H2,1-7H3/t15-,18+,19-,20-,24-,25+,26-/m1/s1
• InChIKey: MTXOHECJOIIIJM-PHFLZNSYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 569.879°C at 760 mmHg (Cal.)
• Flash point: 184.681°C (Cal.)