20-Epimelobaline
[CAS# 11034-66-5]

Identification

• Name: 20-Epimelobaline
• Synonyms: Aspidospermidine-3-Carboxylic Acid, 6,7-Didehydro-3,20-Epoxy-2-Hydroxy-, Methyl; Aspidospermidine-3-Carboxylic Acid, 6,7-Didehydro-3,20-Epoxy-2-Hydroxy-, Methyl Ester, (2-Beta,3-Alpha,5-Alpha,12-Beta,19-Alpha,20S)-; Vincoline
• Molecular Formula: C₂₁H₂₄N₂O₄
• Molecular Weight: 368.43
• CAS Registry Number: 11034-66-5
• SMILES: [C@@]134[C@H]2N(CC1)CC=C[C@]26[C@@H](O[C@@]([C@]3(O)NC5=CC=CC=C45)(C6)C(OC)=O)C
• InChI: 1S/C21H24N2O4/c1-13-18-8-5-10-23-11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(19,25)20(12-18,27-13)17(24)26-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13-,16-,18-,19+,20-,21-/m0/s1
• InChIKey: YOQNZWXFGROKGY-KVKBDHCBSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 556.009°C at 760 mmHg (Cal.)
• Flash point: 290.064°C (Cal.)