Oleficin
[CAS 12764-54-4]

Identification

• Name: Oleficin
• Synonyms: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-12,14,16-Trimethyl-Heptadeca-2,4,6,8,10,12-Hexaenoyl]-5-Hydroxy-1-Methyl-3-Oxo-2H-Pyrrol-2-Yl]Propanoic Acid; 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-12,14,16-Trimethyl-1-Oxoheptadeca-2,4,6,8,10,12-Hexaenyl]-5-Hydroxy-1-Methyl-3-Oxo-2H-Pyrrol-2-Yl]Propanoic Acid; 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[(2S,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-12,14,16-Trimethyl-Heptadeca-2,4,6,8,10,12-Hexaenoyl]-5-Hydroxy-3-Keto-1-Methyl-2-Pyrrolin-2-Yl]Propionic Acid
• Molecular Formula: C₃₄H₄₇NO₉
• Molecular Weight: 613.75
• CAS Registry Number: 12764-54-4
• SMILES: [C@H]2(OC(C(C)C)C(C)\C=C(C)\C=C\C=C\C=C\C=C\C=C\C(=O)C1=C(O)N(C(CCC(O)=O)C1=O)C)O[C@@H]([C@@H](O)[C@@H](O)C2)C
• InChI: 1S/C34H47NO9/c1-21(2)33(44-29-20-27(37)31(40)24(5)43-29)23(4)19-22(3)15-13-11-9-7-8-10-12-14-16-26(36)30-32(41)25(17-18-28(38)39)35(6)34(30)42/h7-16,19,21,23-25,27,29,31,33,37,40,42H,17-18,20H2,1-6H3,(H,38,39)/b8-7+,11-9+,12-10+,15-13+,16-14+,22-19+/t23?,24-,25?,27+,29-,31-,33?/m1/s1
• InChIKey: HWUGZOTWTJWVJI-FBUPINBZSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 783.014°C at 760 mmHg (Cal.)
• Flash point: 427.352°C (Cal.)