Cas no 143885-77-2 (O-Demethylcitrunobin; 4,4'-Di-Me ether)

O-Demethylcitrunobin; 4,4'-Di-Me ether structure
143885-77-2 structure
Product Name:O-Demethylcitrunobin; 4,4'-Di-Me ether
CAS No:143885-77-2
MF:C22H22O5
MW:366.407086849213
CID:6673451
Update Time:2024-03-02

O-Demethylcitrunobin; 4,4'-Di-Me ether Chemical and Physical Properties

Names and Identifiers

    • 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
    • O-Demethylcitrunobin; 4,4'-Di-Me ether
    • Inchi: 1S/C22H22O5/c1-22(2)12-11-16-19(26-4)13-18(24)20(21(16)27-22)17(23)10-7-14-5-8-15(25-3)9-6-14/h5-13,24H,1-4H3
    • InChI Key: VETSXWXDHHAXNB-UHFFFAOYSA-N
    • SMILES: COC1C=CC(C=CC(C2C3=C(C=CC(O3)(C)C)C(OC)=CC=2O)=O)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • XLogP3: 3.395
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