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Search term: CWVPFDLFQUVWQC-ZUEPXWORSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2alpha,3beta)-2,3-Dihydroxy-12-methoxypicras-12-ene-1,11,16-trione | C21H28O7

(2α,3β)-2,3-Dihydroxy-12-methoxypicras-12-ene-1,11,16-trione

  • Molecular FormulaC21H28O7
  • Average mass392.443 Da
  • Monoisotopic mass392.183502 Da
  • ChemSpider ID26617311

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2α,3β)-2,3-Dihydroxy-12-methoxypicras-12-en-1,11,16-trion [German] [ACD/IUPAC Name]
(2α,3β)-2,3-Dihydroxy-12-methoxypicras-12-ene-1,11,16-trione [ACD/IUPAC Name]
(2α,3β)-2,3-Dihydroxy-12-méthoxypicras-12-ène-1,11,16-trione [French] [ACD/IUPAC Name]
Picras-12-ene-1,11,16-trione, 2,3-dihydroxy-12-methoxy-, (2α,3β)- [ACD/Index Name]
nothospondin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.2±6.0 kJ/mol
Flash Point: 212.1±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.63
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.63
Polar Surface Area: 110 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 294.3±5.0 cm3

Click to predict properties on the Chemicalize site


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