Vincarine
[CAS# 21641-60-1]

Identification

• Name: Vincarine
• Synonyms: Vincarine; Ajmalan-16-Carboxylic Acid, 19,20-Didehydro-1-Demethyl-17-Hydroxy-, Methyl Ester, (2Epsilon,17S,19E)-
• Molecular Formula: C₂₁H₂₄N₂O₃
• Molecular Weight: 352.43
• CAS Registry Number: 21641-60-1
• SMILES: [C@@H]36N5[C@@H]4C2NC1=CC=CC=C1C2([C@H](O)C3(C(C4)C(/C5)=C\C)C(OC)=O)C6
• InChI: 1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1
• InChIKey: RLUORQGMBKDXPO-CFAUMIGUSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 531.413°C at 760 mmHg (Cal.)
• Flash point: 275.189°C (Cal.)