Found 1 result

Search term: 24679261 (Found by CSID)
ChemSpider 2D Image | chaetochromin C | C29H24O10

chaetochromin C

  • Molecular FormulaC29H24O10
  • Average mass532.495 Da
  • Monoisotopic mass532.136963 Da
  • ChemSpider ID24679261

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-5,5',6,6',8,8'-Hexahydroxy-2,2',3-trimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,3R)-5,5',6,6',8,8'-Hexahydroxy-2,2',3-trimethyl-2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione [ACD/IUPAC Name]
(2R,3R)-5,5',6,6',8,8'-Hexahydroxy-2,2',3-triméthyl-2,2',3,3'-tétrahydro-4H,4'H-9,9'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
[9,9'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 5,5',6,6',8,8'-hexahydroxy-2,2',3-trimethyl-, (2R,3R)- [ACD/Index Name]
chaetochromin C
108906-68-9 [RN]
  • Miscellaneous

    • Chemical Class:

      A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substitut; ed by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3 R stereoi; somer). It has been isolated from Chaetomium gracile. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68720
      A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile. ChEBI CHEBI:68720
      A biaryl that is 2,2<apostrophe/>,3,3<apostrophe/>-tetrahydro-4<element>H</element>,4<apostrophe/><element>H</element>-9,9<apostrophe/>-bibenzo[<ital>g</ital>]chromene-4,4<apostrophe/>-dione substitut ed by hydroxy groups at positions 5, 5<apostrophe/>, 6, 6<apostrophe/>, 8 and 8<apostrophe/> and methyl groups at positions 2, 2<apostrophe/> and 3 (the 2<stereo>R</stereo>,3<stereo>R</stereo> stereoi somer). It has been isolated from <ital>Chaetomium gracile</ital>. ChEBI CHEBI:68720

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 266.6±26.4 °C
Index of Refraction: 1.752
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 78.3±3.0 dyne/cm
Molar Volume: 342.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement