[(2R,3S,4R,5R)-3-Acetyloxy-5-[(2S,3S,4R,5R)-3-Acetyloxy-4,5-Dihydroxyoxan-2-Yl]Oxy-2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Oxan-4-Yl] Acetate
[CAS# 143838-79-3]

Identification

• Name: [(2R,3S,4R,5R)-3-Acetyloxy-5-[(2S,3S,4R,5R)-3-Acetyloxy-4,5-Dihydroxyoxan-2-Yl]Oxy-2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Oxan-4-Yl] Acetate
• Synonyms: [(2R,3S,4R,5R)-3-Acetoxy-5-[(2S,3S,4R,5R)-3-Acetoxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Tetrahydropyran-4-Yl] Acetate; Acetic Acid [(2R,3S,4R,5R)-3-Acetoxy-5-[[(2S,3S,4R,5R)-3-Acetoxy-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]-2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]-4-Tetrahydropyranyl] Ester; Acetic Acid [(2R,3S,4R,5R)-3-Acetoxy-5-[(2S,3S,4R,5R)-3-Acetoxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-2-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienoxy]Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₁H₄₈O₁₂
• Molecular Weight: 612.71
• CAS Registry Number: 143838-79-3
• SMILES: [C@@H]2(OC(=O)C)[C@H](O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(=O)C)CO[C@@H](OC\C=C(\CC\C=C(\CCC=C(C)C)C)C)[C@H]2OC(=O)C
• InChI: 1S/C31H48O12/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-37-30-29(42-23(7)34)27(40-21(5)32)25(17-39-30)43-31-28(41-22(6)33)26(36)24(35)16-38-31/h10,12,14,24-31,35-36H,8-9,11,13,15-17H2,1-7H3/b19-12+,20-14+/t24-,25-,26-,27-,28+,29+,30-,31+/m1/s1
• InChIKey: JDZUTRNFTHMPMQ-VOPDUKPCSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 686.294°C at 760 mmHg (Cal.)
• Flash point: 208.55°C (Cal.)