[(8R)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl 3,5-Bis(3-Methylbut-2-Enyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoate
[CAS# 34137-24-1]

Identification

• Name: [(8R)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl 3,5-Bis(3-Methylbut-2-Enyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoate
• Synonyms: [(8R)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl 3,5-Bis(3-Methylbut-2-Enyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoate; 3,5-Bis(3-Methylbut-2-Enyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Benzoic Acid [(8R)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl Ester; 3,5-Bis(3-Methylbut-2-Enyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzoic Acid [(8R)-Pyrrolizidin-1-Yl]Methyl Ester
• Molecular Formula: C₃₁H₄₅NO₈
• Molecular Weight: 559.70
• CAS Registry Number: 34137-24-1
• SMILES: [C@H]14N(CCC1COC(=O)C3=CC(=C(O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(=C3)CC=C(C)C)CC=C(C)C)CCC4
• InChI: 1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22?,24-,25-,26-,27+,28-,31-/m1/s1
• InChIKey: FQXZITIIHQHGBC-MOVKRCFWSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 722.23°C at 760 mmHg (Cal.)
• Flash point: 390.591°C (Cal.)