[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] 2-Methylbutanoate
[CAS# 126605-70-7]

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] 2-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] 2-Methylbutanoate; 2-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; 2-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: 126605-70-7 (126688-54-8)
• SMILES: C(C(O)(C(O[P](=O)(O)O)CC(O)\C=C\C=C\C1CC(OC(=O)C(CC)C)CCC1)\C=C\C2OC(=O)C=CC2CC)CN
• InChI: 1S/C30H48NO10P/c1-4-21(3)29(34)39-25-12-8-10-22(19-25)9-6-7-11-24(32)20-27(41-42(36,37)38)30(35,17-18-31)16-15-26-23(5-2)13-14-28(33)40-26/h6-7,9,11,13-16,21-27,32,35H,4-5,8,10,12,17-20,31H2,1-3H3,(H2,36,37,38)/b9-6+,11-7+,16-15+
• InChIKey: IEXHVRAIBNTGPA-ZWDVXTLWSA-N

Properties

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