[(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-Aminoethyl)-10-[(2S)-3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 7-Methyloctanoate
[CAS# 145142-83-2]

Identification

• Name: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-Aminoethyl)-10-[(2S)-3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 7-Methyloctanoate
• Synonyms: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-Aminoethyl)-10-[(2S)-3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] 7-Methyloctanoate; 7-Methyloctanoic Acid [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-Aminoethyl)-10-[(2S)-3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl]-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] Ester; 7-Methylcaprylic Acid [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-Aminoethyl)-10-[(2S)-3-Ethyl-6-Keto-2,3-Dihydropyran-2-Yl]-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] Ester
• Molecular Formula: C₃₄H₅₆NO₁₀P
• Molecular Weight: 669.79
• CAS Registry Number: 145142-83-2
• SMILES: [C@@](O)([C@H](O[P](=O)(O)O)C[C@@H](O)\C=C/C=C\[C@H]1C[C@@H](OC(=O)CCCCCC(C)C)CCC1)(\C=C\[C@@H]2OC(=O)C=CC2CC)CCN
• InChI: 1S/C34H56NO10P/c1-4-27-17-18-33(38)44-30(27)19-20-34(39,21-22-35)31(45-46(40,41)42)24-28(36)14-9-8-12-26-13-10-15-29(23-26)43-32(37)16-7-5-6-11-25(2)3/h8-9,12,14,17-20,25-31,36,39H,4-7,10-11,13,15-16,21-24,35H2,1-3H3,(H2,40,41,42)/b12-8-,14-9-,20-19+/t26-,27?,28+,29+,30+,31-,34+/m1/s1
• InChIKey: WZBZEINGTVLIIY-VGHZCNFRSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 825.308°C at 760 mmHg (Cal.)
• Flash point: 452.93°C (Cal.)