[3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 3-Methylbutanoate
[CAS# 126643-52-5]

Identification

• Name: [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 3-Methylbutanoate
• Synonyms: [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] 3-Methylbutanoate; 3-Methylbutanoic Acid [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] Ester; 3-Methylbutyric Acid [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Keto-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] Ester
• Molecular Formula: C₃₀H₄₈NO₁₀P
• Molecular Weight: 613.68
• CAS Registry Number: 126643-52-5 (122856-27-3)
• SMILES: C(C(O)(C(O[P](=O)(O)O)CC(O)\C=C\C=C\C1CC(OC(=O)CC(C)C)CCC1)\C=C\C2OC(=O)C=CC2CC)CN
• InChI: 1S/C30H48NO10P/c1-4-23-12-13-28(33)40-26(23)14-15-30(35,16-17-31)27(41-42(36,37)38)20-24(32)10-6-5-8-22-9-7-11-25(19-22)39-29(34)18-21(2)3/h5-6,8,10,12-15,21-27,32,35H,4,7,9,11,16-20,31H2,1-3H3,(H2,36,37,38)/b8-5+,10-6+,15-14+
• InChIKey: NDVHWGXRHYARME-XNHNZVDCSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 798.46°C at 760 mmHg (Cal.)
• Flash point: 436.693°C (Cal.)