[(2R,4R,5S,6R)-3,3,4,5-Tetrahydroxy-2-Propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-4-Yl] (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoate
[CAS# 145937-22-0]

Identification

• Name: [(2R,4R,5S,6R)-3,3,4,5-Tetrahydroxy-2-Propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-4-Yl] (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoate
• Synonyms: [(2R,4R,5S,6R)-3,3,4,5-Tetrahydroxy-2-Propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-4-Yl] (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoate; (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoic Acid [(2R,4R,5S,6R)-3,3,4,5-Tetrahydroxy-2-Propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-4-Tetrahydropyranyl] Ester; (9Z,12Z,15Z)-Octadeca-9,12,15-Trienoic Acid [(2R,4R,5S,6R)-3,3,4,5-Tetrahydroxy-2-Propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₃H₅₆O₁₄
• Molecular Weight: 676.80
• CAS Registry Number: 145937-22-0
• SMILES: [C@H]1(OCCC)C(O)([C@@](O)([C@@H](O)[C@H](O1)CO[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)OC(CCCCCCC\C=C/C/C=C\C\C=C/CC)=O)O
• InChI: 1S/C33H56O14/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(35)47-33(42)29(39)24(46-31(32(33,40)41)43-20-4-2)22-44-30-28(38)27(37)26(36)23(21-34)45-30/h5-6,8-9,11-12,23-24,26-31,34,36-42H,3-4,7,10,13-22H2,1-2H3/b6-5-,9-8-,12-11-/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1
• InChIKey: JWMITOKTALGFJL-QQNQLOICSA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 795.848°C at 760 mmHg (Cal.)
• Flash point: 240.533°C (Cal.)