(3aR,5R,5aR,10bR,13aS)-6-Formyl-2,3,4,5,11,12-hexahydro-6H,13aH-3a,5a-Ethano-1H-indolizino[8,1-cd]carbazole-5-carboxylic acid methyl ester
[CAS# 2348-67-6]

Identification

• Name: (3aR,5R,5aR,10bR,13aS)-6-Formyl-2,3,4,5,11,12-hexahydro-6H,13aH-3a,5a-Ethano-1H-indolizino[8,1-cd]carbazole-5-carboxylic acid methyl ester
• Molecular Formula: C₂₂H₂₆N₂O₃
• Molecular Weight: 366.46
• CAS Registry Number: 2348-67-6
• SMILES: [C@@]134[C@]6(N(C2=CC=CC=C12)C=O)[C@@H](C[C@]5([C@@H]3N(CC4)CCC5)CC6)C(OC)=O
• InChI: 1S/C22H26N2O3/c1-27-18(26)16-13-20-7-4-11-23-12-10-21(19(20)23)15-5-2-3-6-17(15)24(14-25)22(16,21)9-8-20/h2-3,5-6,14,16,19H,4,7-13H2,1H3/t16-,19-,20+,21+,22+/m0/s1
• InChIKey: XGYZDZNXCXHGBV-WVCANSMHSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 538.444°C at 760 mmHg (Cal.)
• Flash point: 279.441°C (Cal.)