ChemSpider 2D Image | 6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-(1,3-nonadien-1-yl)-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-en-17-yl benzoate | C37H44O10

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-(1,3-nonadien-1-yl)-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl benzoate

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID380029

More details:

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

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-(1,3-nonadien-1-yl)-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl benzoate [ACD/IUPAC Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-(1,3-nonadien-1-yl)-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl-benzoat [German] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-(1,3-nonadi en-1-yl)- [ACD/Index Name]
Benzoate de 6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-14-(1,3-nonadién-1-yl)-5-oxo-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadéc-3-én-17-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.634
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 766947.50
ACD/KOC (pH 5.5): 567393.44
ACD/LogD (pH 7.4): 8.05
ACD/BCF (pH 7.4): 766781.63
ACD/KOC (pH 7.4): 567270.75
Polar Surface Area: 144 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 477.1±5.0 cm3

Click to predict properties on the Chemicalize site


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