Benzeneacetic Acid (1aR)-4-(Acetyloxy)-3-[(Acetyloxy)Methyl]-1,1aalpha,1bbeta,4,4a,5,7aalpha,7b,8,9-Decahydro-4abeta,7balpha-Dihydroxy-1,1,6,8alpha-Tetramethyl-5-Oxo-9aH-Cyclopropa[3,4]Benz[1,2-e]Azulen-9aalpha-Yl Ester
[CAS# 69883-99-4]

Identification

• Name: Benzeneacetic Acid (1aR)-4-(Acetyloxy)-3-[(Acetyloxy)Methyl]-1,1aalpha,1bbeta,4,4a,5,7aalpha,7b,8,9-Decahydro-4abeta,7balpha-Dihydroxy-1,1,6,8alpha-Tetramethyl-5-Oxo-9aH-Cyclopropa[3,4]Benz[1,2-e]Azulen-9aalpha-Yl Ester
• Synonyms: 12-Deoxyphorbol-13-(4-Acetoxyphenylacetate)-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-4A-Beta,7B-Alpha,9A-Alpha-Trihydroxy-3-(Hydroxymethyl)-1,1,6,8-Alpha-Tetramethyl-, 3-Acetate 9A-(4-Acetoxyphenylacetate)
• Molecular Formula: C₃₂H₃₈O₉
• Molecular Weight: 566.65
• CAS Registry Number: 69883-99-4
• SMILES: C1=C(OC(=O)C)C=CC(=C1)CC(OC35C(C2C=C(CC4(C(C2(C(C3)C)O)C=C(C)C4=O)O)COC(=O)C)C5(C)C)=O
• InChI: 1S/C32H38O9/c1-17-11-25-30(37,28(17)36)15-22(16-39-19(3)33)12-24-27-29(5,6)31(27,14-18(2)32(24,25)38)41-26(35)13-21-7-9-23(10-8-21)40-20(4)34/h7-12,18,24-25,27,37-38H,13-16H2,1-6H3
• InChIKey: WSORMWYCFRNUIA-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 684.76°C at 760 mmHg (Cal.)
• Flash point: 216.471°C (Cal.)