12-Deoxyphorbol-13-Phenylacetate-20-(4-Butoxyphenylacetate)
[CAS# 74513-81-8]

Identification

• Name: 12-Deoxyphorbol-13-Phenylacetate-20-(4-Butoxyphenylacetate)
• 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-, 3-(4-Butoxyphenylacetate) 9A-Phenylacetate
• Molecular Formula: C₄₀H₄₈O₈
• Molecular Weight: 656.81
• CAS Registry Number: 74513-81-8
• SMILES: [C@@]26(OC(=O)CC1=CC=CC=C1)[C@@H](C2(C)C)[C@H]4[C@@](O)([C@H]3[C@@](O)(C(=O)C(=C3)C)CC(=C4)COC(=O)CC5=CC=C(OCCCC)C=C5)[C@@H](C6)C
• InChI: 1S/C40H48O8/c1-6-7-17-46-30-15-13-28(14-16-30)20-33(41)47-24-29-19-31-35-37(4,5)39(35,48-34(42)21-27-11-9-8-10-12-27)22-26(3)40(31,45)32-18-25(2)36(43)38(32,44)23-29/h8-16,18-19,26,31-32,35,44-45H,6-7,17,20-24H2,1-5H3/t26-,31+,32-,35-,38-,39+,40-/m1/s1
• InChIKey: XZMOGBZSUYNXKP-YZJHVHHLSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 758.811°C at 760 mmHg (Cal.)
• Flash point: 228.896°C (Cal.)