[(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] (Z)-Octadec-9-Enoate
[CAS# 35949-86-1]

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] (Z)-Octadec-9-Enoate
• 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] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic 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; (Z)-Octadec-9-Enoic 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: C₃₃H₆₀O₁₄
• Molecular Weight: 680.83
• CAS Registry Number: 35949-86-1
• SMILES: [C@]1(OC(=O)CCCCCCC\C=C/CCCCCCCC)(O)C(O)(O)[C@@H](O[C@@H]([C@@H]1O)CO[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@@H]2O)CO)OCCC
• InChI: 1S/C33H60O14/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/h11-12,23-24,26-31,34,36-42H,3-10,13-22H2,1-2H3/b12-11-/t23-,24-,26+,27+,28+,29+,30+,31-,33-/m1/s1
• InChIKey: PJXRZWXBCYISPA-IQWVMRMJSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 787.682°C at 760 mmHg (Cal.)
• Flash point: 236.251°C (Cal.)