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

6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-17-yl (2E,4E,6E)-2,4,6-decatrienoate

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID4944760

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E)-2,4,6-Décatriénoate de 6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-5-oxo-14-phényl-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadéc-17-yle [French] [ACD/IUPAC Name]
2,4,6-Decatrienoic acid, dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester, (2E,4E,6E) - [ACD/Index Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-17-yl (2E,4E,6E)-2,4,6-decatrienoate [ACD/IUPAC Name]
6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-17-yl-(2E,4E,6E)-2,4,6-decatrienoat [German] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one,dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(((2E,4E,6E)-1-oxo-2,4,6-decatrienyl)oxy)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,7S,8aR,8bR,9R,10R,10aS)-
71252-72-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 241.6±26.4 °C
Index of Refraction: 1.633
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 81647.70
ACD/KOC (pH 5.5): 114169.21
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 81643.12
ACD/KOC (pH 7.4): 114162.82
Polar Surface Area: 144 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 477.9±5.0 cm3

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