12-Deoxyphorbol 13-Phenylacetate 20-Acetate
[CAS# 54662-30-5]

Identification

• Name: 12-Deoxyphorbol 13-Phenylacetate 20-Acetate
• Synonyms: Benzeneacetic Acid ,(1Ar,1Bs,4Ar,7As,7Br,8R,9As)-3-((Acetyloxy)Methyl)-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-4A,7B-Dihydroxy-1,1,6,8-Tetramethyl-5-Oxo-9Ah-Cyclopropa(3,4)Benz(1,2-E)Azulen-9A-Yl Ester; Ncgc00163537-01; 12-Deoxyphorbol-13-Phenylacetate-20-Acetate
• Molecular Formula: C₃₀H₃₆O₇
• Molecular Weight: 508.61
• CAS Registry Number: 54662-30-5
• SMILES: [C@]45(OC(=O)CC1=CC=CC=C1)[C@H]([C@H]2[C@@]([C@H]3[C@](CC(=C2)COC(=O)C)(C(=O)C(=C3)C)O)([C@@H](C4)C)O)C5(C)C
• InChI: 1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23-,25-,28-,29+,30-/m1/s1
• InChIKey: MEDVHSNRBPAIPU-XMOZQXTISA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 635.671°C at 760 mmHg (Cal.)
• Flash point: 204.297°C (Cal.)