ChemSpider 2D Image | ganocin A | C21H24O4

ganocin A

  • Molecular FormulaC21H24O4
  • Average mass340.413 Da
  • Monoisotopic mass340.167450 Da
  • ChemSpider ID34452014

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,9R,12S,13S)-4-Hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.01,13.02,7.09,13]nonadeca-2,4,6,16-tetraen-16-carbaldehyd [German] [ACD/IUPAC Name]
(1R,9R,12S,13S)-4-Hydroxy-9,19,19-trimethyl-8,18-dioxapentacyclo[10.5.2.01,13.02,7.09,13]nonadeca-2,4,6,16-tetraene-16-carbaldehyde [ACD/IUPAC Name]
(1R,9R,12S,13S)-4-Hydroxy-9,19,19-triméthyl-8,18-dioxapentacyclo[10.5.2.01,13.02,7.09,13]nonadéca-2,4,6,16-tétraène-16-carbaldéhyde [French] [ACD/IUPAC Name]
12b,5-(Epoxymethano)-12bH-dibenzo[c,e]cyclopenta[b]pyran-2-carboxaldehyde, 3,4,5,6,7,7a-hexahydro-11-hydroxy-7a,14,14-trimethyl-, (4aS,5S,7aR,12bR)- [ACD/Index Name]
ganocin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 188.4±23.6 °C
Index of Refraction: 1.630
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 625.17
ACD/KOC (pH 5.5): 3491.22
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 624.63
ACD/KOC (pH 7.4): 3488.17
Polar Surface Area: 56 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

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