Cas no 20958-17-2 (Isotanshinon-I)

Isotanshinon-I structure
Isotanshinon-I structure
Product Name:Isotanshinon-I
CAS No:20958-17-2
MF:C18H12O3
MW:276.286085128784
CID:2013591
PubChem ID:623940
Update Time:2025-04-21

Isotanshinon-I Chemical and Physical Properties

Names and Identifiers

    • Isotanshinon-I
    • isotanshinone I
    • 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione
    • FS-6990
    • 20958-17-2
    • AKOS040733471
    • SCHEMBL16023778
    • CS-0067962
    • 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione #
    • 4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione
    • ZP10KC083W
    • Phenanthro[3,2-b]furan-7,11-dione, 4,8-dimethyl-
    • 4,8-DIMETHYLNAPHTHO(2,1-F)(1)BENZOFURAN-7,11-DIONE
    • XYKZSUXWBGUGQV-UHFFFAOYSA-N
    • HY-N6649
    • DB-218589
    • Phenanthro(3,2-b)furan-7,11-dione, 4,8-dimethyl-
    • Inchi: 1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3
    • InChI Key: XYKZSUXWBGUGQV-UHFFFAOYSA-N
    • SMILES: O1C=C(C)C2C(C3C=CC4C(C)=CC=CC=4C=3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 276.07900
  • Monoisotopic Mass: 276.078644241g/mol
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 47.3?2

Experimental Properties

  • Color/Form: Red powder
  • Density: 1.324±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 219 oC
  • Solubility: Insuluble (2.1E-5 g/L) (25 oC),
  • PSA: 47.28000
  • LogP: 3.82500

Isotanshinon-I Security Information

  • Storage Condition:Please store the product under the recommended conditions in the Certificate of Analysis.

Isotanshinon-I Pricemore >>

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