Cas no 457613-93-3 ((+)-12-methoxyaffinisine)

(+)-12-methoxyaffinisine structure
(+)-12-methoxyaffinisine structure
Product Name:(+)-12-methoxyaffinisine
CAS No:457613-93-3
MF:C21H26N2O2
MW:338.443345546722
CID:6767930
Update Time:2024-03-03

(+)-12-methoxyaffinisine Chemical and Physical Properties

Names and Identifiers

    • 12-methoxyaffinisine
    • (+)-12-methoxyaffinisine
    • Inchi: 1S/C21H26N2O2/c1-4-12-10-23-17-9-15-13-6-5-7-19(25-3)21(13)22(2)20(15)18(23)8-14(12)16(17)11-24/h4-7,14,16-18,24H,8-11H2,1-3H3/b12-4-/t14-,16+,17-,18-/m0/s1
    • InChI Key: UODIREBYLLUENO-OONYBVTKSA-N
    • SMILES: [C@@H]12/C(=C\C)/CN3[C@@H](C1)C1=C(C[C@H]3[C@@H]2CO)C2C(=C(OC)C=CC=2)N1C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • XLogP3: 1.609
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