Vomilenine
[CAS# 6880-50-8]

Identification

• Name: Vomilenine
• Synonyms: 21α-hydroxy-22-norajmala-1,19-dien-17α-yl acetate; vomilenine
• Molecular Formula: C₂₁H₂₂N₂O₃
• Molecular Weight: 350.41
• CAS Registry Number: 6880-50-8
• SMILES: O=C(O[C@H]4[C@]51c6ccccc6\N=C5\[C@H]3N2[C@@H](C1)C4[C@H](\C(=C/C)[C@H]2O)C3)C
• InChI: 1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,19+,20+,21+/m0/s1
• InChIKey: BERYBAUEDCRDKM-FDHUPVAHSA-N

Properties

• Density: 1.595g/cm³ (Cal.)
• Boiling point: 519.257°C at 760 mmHg (Cal.)
• Flash point: 267.837°C (Cal.)