4,R-ajmalicine N-oxide

• Catalog Number: ACM41590298
• Product Name: 4,R-ajmalicine N-oxide
• CAS: 41590-29-8
• Category: Heterocyclic Organic Compound
• Synonyms: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, 4-oxide, (4α,19α)- (9CI)
• Molecular Weight: 368.4
• InChI: InChI=1S/C21H24N2O4/c1-12-16-10-23(25)8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-27-12)21(24)26-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-,23/m0/s1
• InChI Key: FEPWCBNZAPJQDK-PBYQAJJJSA-N
• Complexity: 652
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 4
• Exact Mass: 368.17360725
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[C@H]1[C@H]2C[N+]3(CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45)[O-]
• Monoisotopic Mass: 368.17360725
• Physical State: Powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 69.4 Ų