Quininone[醌]

84-31-1

CAS Name

(8α)-6′-Methoxycinchonan-9-one

Molecular Formula

C₂₀H₂₂N₂O₂

Molecular Mass

322.40

Compound Properties

• Melting Point (1)

  108 °C

Source(s)

• (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14-,19-/m0/s1

InChIKey

InChIKey=SRFCUPVBYYAMIL-NJSLBKSFSA-N

SMILES

C(=O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@H]3[N@@]4C[C@H](C=C)[C@](C3)(CC4)[H]

Canonical SMILES

O=C(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance