Alkaloids/Alfa Chemistry
(S)-Canadine

(S)-Canadine

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Catalog Number ACM5096571
CAS Number 5096-57-1
Structure
Synonyms (S)-Tetrahydroberberine
Molecular Weight 339.4
InChI InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
InChI Key VZTUIEROBZXUFA-INIZCTEOSA-N
Purity 95%+
Complexity 488
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 339.14705815
Heavy Atom Count 25
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
Isomeric SMILES COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC
Monoisotopic Mass 339.14705815
PhysicalState Powder
Rotatable Bond Count 2
Topological Polar Surface Area 40.2 Ų

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