Sinpeinine a

• Catalog Number: ACM96997987
• Product Name: Sinpeinine a
• CAS: 96997-98-7
• Category: Heterocyclic Organic Compound
• Synonyms: Hupehenirine
• Molecular Weight: 413.6
• Molecular Formula: C₂₇H₄₃NO₂
• InChI: InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/t15-,16+,17-,18-,19?,20+,21-,22+,23-,24+,25-,27+/m0/s1
• InChI Key: MWBJDDYEYGDWCZ-HGCWAZHVSA-N
• Complexity: 707
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 11
• Exact Mass: 413.329379614
• Heavy Atom Count: 30
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[C@H]1CC[C@H]2[C@@H]([C@@H]3CCC4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C
• Monoisotopic Mass: 413.329379614
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 40.5 Ų