(2S,3R)-2,3-Dihydroxy-2-Isopropylbutanoic Acid [(1R,7aS)-2,3,5,6,7,7a-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl Ester
[CAS# 14140-18-2]

Identification

• Name: (2S,3R)-2,3-Dihydroxy-2-Isopropylbutanoic Acid [(1R,7aS)-2,3,5,6,7,7a-Hexahydro-1H-Pyrrolizin-1-Yl]Methyl Ester
• Synonyms: Trachelanthamin; Trachelanthamine
• Molecular Formula: C₁₅H₂₇NO₄
• Molecular Weight: 285.38
• CAS Registry Number: 14140-18-2
• SMILES: [C@H]12[C@H](CCN1CCC2)COC([C@@](C(C)C)(C(C)O)O)=O
• InChI: 1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13+,15-/m1/s1
• InChIKey: BWQSLRZZOVFVHJ-VYHDIPPYSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 413.494°C at 760 mmHg (Cal.)
• Flash point: 203.874°C (Cal.)