Cas no 98249-39-9 (11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione)

11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione structure
98249-39-9 structure
Product Name:11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione
CAS No:98249-39-9
MF:C18H12O3
MW:276.286085128784
CID:2026982
PubChem ID:44425166
Update Time:2025-07-13

11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione Chemical and Physical Properties

Names and Identifiers

    • 11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione
    • 4,5-Dihydro-3,8-dimethyl-4,5-dioxo-phenanthrofuran
    • isotanshinone II
    • Isotanshinone Ⅱ
    • 3,8-Dimethyl-phenanthro[4,3-b]furan-4,5-dione
    • Isotanshinone II (Salvia glutinosa)
    • 98249-39-9
    • 3,8-dimethylnaphtho[2,1-g][1]benzofuran-4,5-dione
    • BDBM50476408
    • FS-7458
    • AKOS040761912
    • CHEMBL227131
    • 3,8-dimethylphenanthro[4,3-b]furan-4,5-dione
    • HY-N7751
    • 3,8-dimethylnaphtho(2,1-g)(1)benzofuran-4,5-dione
    • CS-0136859
    • Inchi: 1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)18-14(10(2)8-21-18)17(20)16(13)19/h3-8H,1-2H3
    • InChI Key: ONUSCCKLNWURMA-UHFFFAOYSA-N
    • SMILES: O1C=C(C)C2C(C(C3=CC=C4C(C)=CC=CC4=C3C1=2)=O)=O

Computed Properties

  • Exact Mass: 276.079
  • Monoisotopic Mass: 276.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 471
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 47.3A^2
  • XLogP3: 2.493

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.324±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.76E-3 g/L) (25 oC),

11,16-oxy-18,20-dinor-1,3,5(10),6,8,11,15-abietaheptaene-13,14-dione Pricemore >>

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