Calphostin A
[CAS# 120461-92-9]

Identification

• Name: Calphostin A
• Synonyms: [2-[12-[2-(Benzoyloxy)Propyl]-3,10-Dihydroxy-2,6,7,11-Tetramethoxy-4,9-Dioxo-Perylen-1-Yl]-1-Methyl-Ethyl] Benzoate; Benzoic Acid [2-[3,10-Dihydroxy-2,6,7,11-Tetramethoxy-4,9-Dioxo-12-[2-(Oxo-Phenylmethoxy)Propyl]-1-Perylenyl]-1-Methylethyl] Ester; Benzoic Acid [2-[12-[2-(Benzoyloxy)Propyl]-3,10-Dihydroxy-4,9-Diketo-2,6,7,11-Tetramethoxy-Perylen-1-Yl]-1-Methyl-Ethyl] Ester
• Molecular Formula: C₄₄H₃₈O₁₂
• Molecular Weight: 758.78
• CAS Registry Number: 120461-92-9
• SMILES: C7=C(C(OC(CC4=C3C2=C(CC(OC(=O)C1=CC=CC=C1)C)C(=C(O)C6=C2C(=C5C3=C(C(=C4OC)O)C(=O)C=C5OC)C(=CC6=O)OC)OC)C)=O)C=CC=C7
• InChI: 1S/C44H38O12/c1-21(55-43(49)23-13-9-7-10-14-23)17-25-31-32-26(18-22(2)56-44(50)24-15-11-8-12-16-24)42(54-6)40(48)34-28(46)20-30(52-4)36(38(32)34)35-29(51-3)19-27(45)33(37(31)35)39(47)41(25)53-5/h7-16,19-22,47-48H,17-18H2,1-6H3
• InChIKey: VUBUMFQDTQGEKS-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 989.169°C at 760 mmHg (Cal.)
• Flash point: 302.475°C (Cal.)