Chaetiacandin
[CAS# 96989-32-1]

Identification

• Name: Chaetiacandin
• Synonyms: [5-[5-[2-[(2E,4E)-Deca-2,4-Dienoyl]Oxy-1-Hydroxy-Ethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-2-[2,4-Dihydroxy-6-(Hydroxymethyl)Phenyl]-3-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] (2E,4E,8E,10E)-7-Hydroxy-12-Methyl-Trideca-2,4,8,10-Tetraenoate; (2E,4
• Molecular Formula: C₄₃H₆₀O₁₆
• Molecular Weight: 832.94
• CAS Registry Number: 96989-32-1
• SMILES: C1=C(O)C=C(O)C(=C1CO)C3OC(C(OC2OC(C(O)C2O)C(O)COC(=O)\C=C\C=C\CCCCC)C(OC(=O)\C=C\C=C\CC(O)\C=C\C=C\C(C)C)C3O)CO
• InChI: 1S/C43H60O16/c1-4-5-6-7-8-9-12-19-33(50)55-25-31(49)39-36(52)37(53)43(58-39)59-40-32(24-45)56-41(35-27(23-44)21-29(47)22-30(35)48)38(54)42(40)57-34(51)20-13-10-11-17-28(46)18-15-14-16-26(2)3/h8-16,18-22,26,28,31-32,36-49,52-54H,4-7,17,23-25H2,1-3H3/b9-8+,
• InChIKey: XTPPYHVGAMJHPL-WAXQHDLUSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 1007.556°C at 760 mmHg (Cal.)
• Flash point: 295.276°C (Cal.)