Cas no 117176-19-9 ([1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)-)

[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)- structure
117176-19-9 structure
Product Name:[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)-
CAS No:117176-19-9
MF:C18H16O7
MW:344.315445899963
CID:230509
Update Time:2024-03-01

[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)- Chemical and Physical Properties

Names and Identifiers

    • [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)-
    • [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, trans-(-)-
    • Boeravinone C
    • [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)-
    • 4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone
    • Inchi: 1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3
    • InChI Key: ZVSXALWTWGTZSP-UHFFFAOYSA-N
    • SMILES: COC1C(C)=C(O)C2=C(OC3C(C2=O)(O)C2C(=C(C=CC=2)O)OC3)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • XLogP3: 0.506

[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one,6a,12a-dihydro-4,11,12a-trihydroxy-9-methoxy-10-methyl-, (6aR,12aS)-rel-(-)- Related Literature

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