Jacobine.
[CAS# 6870-67-3]

Identification

• Name: Jacobine.
• Molecular Formula: C₁₈H₂₅NO₆
• Molecular Weight: 351.40
• CAS Registry Number: 6870-67-3
• SMILES: [C@]14(O[C@H]1C)C(O[C@H]3[C@H]2C(=CCN2CC3)COC([C@@]([C@@H](C4)C)(O)C)=O)=O
• InChI: 1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
• InChIKey: IAPHXJRHXBQDQJ-WKMWQDDRSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 574.127°C at 760 mmHg (Cal.)
• Flash point: 301.021°C (Cal.)