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Substance Name: Acetylquinine
RN: 18797-86-9
InChIKey: LBXIBQQYUBUMMK-VYXDICFBSA-N

Molecular Formula

  • C22-H26-N2-O3

Molecular Weight

  • 366.4584
 
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Names and Synonyms

Name of Substance

  • Acetylquinine

Systematic Name

  • Cinchonan-9-ol, 6'-methoxy-, acetate (ester), (8alpha,9R)-

Registry Numbers

CAS Registry Number

  • 18797-86-9

System Generated Number

  • 0018797869

Structure Descriptors

InChI

1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21-,22+/m0/s1

InChIKey

LBXIBQQYUBUMMK-VYXDICFBSA-N

Smiles

COc1ccc2nccc([C@@H](OC(=O)C)[C@@H]3C[C@H]4CCN3C[C@@H]4C=C)c2c1