Cas no 3466-23-7 (Dehydrodeguelin)

Dehydrodeguelin structure
Dehydrodeguelin structure
Product Name:Dehydrodeguelin
CAS No:3466-23-7
MF:C23H20O6
MW:392.401307106018
CID:837605
PubChem ID:3083803
Update Time:2025-04-19

Dehydrodeguelin Chemical and Physical Properties

Names and Identifiers

    • Dehydrodeguelin
    • 3H-Bis(1)benzopyrano(3,4-b:6,5-e)pyran-7(13H)-one, 9,10-dimethoxy-3,3-dimethyl-
    • 3H-Bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7- (13H)-one,9,10-dimethoxy-3,3-dimethyl-
    • 9,10-dimethoxy-3,3-dimethyl-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(13H)-one
    • 3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(13H)-one, 9,10-dimethoxy-3,3-dimethyl-
    • NSC793885
    • 3466-23-7
    • HY-N3712
    • DTXSID60188217
    • FT-0701573
    • 17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
    • AKOS032948910
    • NGQVFILFHVPLFE-UHFFFAOYSA-N
    • CHEMBL465673
    • 9,10-Dimethoxy-3,3-dimethyl-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7-(13H)-one
    • FS-9437
    • NSC-793885
    • Dehydrodeguelin,7a,13a-Didehydrodeguelin
    • B0005-180586
    • CS-0024102
    • 17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
    • SCHEMBL16694597
    • CHEBI:186773
    • LMPK12060068
    • 6a,12a-Dehydrodeguelin
    • 17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0(3),(1)(2).0?,?.0(1)?,(2)?]docosa-1(14),3,5,9,11,15(20),16,18-octaen-13-one
    • Inchi: 1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3
    • InChI Key: NGQVFILFHVPLFE-UHFFFAOYSA-N
    • SMILES: O1C2C=CC3C(C4C5C=C(C(=CC=5OCC=4OC=3C=2C=CC1(C)C)OC)OC)=O

Computed Properties

  • Exact Mass: 392.126
  • Monoisotopic Mass: 392.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 740
  • 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: 63.2A^2
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.37
  • Boiling Point: 577.9°C at 760 mmHg
  • Flash Point: 253°C
  • Refractive Index: 1.654
  • PSA: 63.22
  • LogP: 4.55380
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

Dehydrodeguelin Security Information

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