ChemSpider 2D Image | 7-Dechlorogriseofulvin | C17H18O6

7-Dechlorogriseofulvin

  • Molecular FormulaC17H18O6
  • Average mass318.321 Da
  • Monoisotopic mass318.110352 Da
  • ChemSpider ID23550443

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1'S,6'R)-2',4,6-Trimethoxy-6'-methyl-3H-spiro[benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
(2S,6'R)-2',4,6-Trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione [ACD/IUPAC Name]
3680-32-8 [RN]
7-Dechlorogriseofulvin
Spiro[benzofuran-2(3H),1'-cyclohex[2]ene]-3,4'-dione, 2',4,6-trimethoxy-6'-methyl-, (2S,6'R)- [ACD/Index Name]
(2S,5'R)-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
7-Dechloro Griseofulvin
Dechlorogriseofulvin

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

ER776J3MGD [DBID]
UNII:ER776J3MGD [DBID]
  • Miscellaneous

    • Compound Source:

      Isolated from a microorganism Susan Richardson [Structure found in DOI: 10.1590/S0100-40422005000600011]
      Xylaria sp. (Xylariaceae) Susan Richardson [Structure found in DOI: 10.1590/S0100-40422005000600011]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 243.1±30.2 °C
Index of Refraction: 1.573
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.55
ACD/KOC (pH 5.5): 392.81
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.55
ACD/KOC (pH 7.4): 392.81
Polar Surface Area: 71 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 244.3±5.0 cm3

Click to predict properties on the Chemicalize site


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