ChemSpider 2D Image | 14-[(1E)-1-Hepten-1-yl]-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-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 (2E)-3-phenylacrylate | C37H44O10

14-[(1E)-1-Hepten-1-yl]-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl (2E)-3-phenylacrylate

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID24618873

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de 14-[(1E)-1-heptén-1-yl]-6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-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]
14-[(1E)-1-Hepten-1-yl]-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
14-[(1E)-1-Hepten-1-yl]-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, 2-[(1E)-1-hepten-1-yl]-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-6-oxo-6H-2,8b-epoxyoxireno[6,7]azuleno[5 ,4-e]-1,3-benzodioxol-10-yl ester, (2E)- [ACD/Index Name]
HIRSEIN A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 238.2±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: 8.72
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 219993.14
ACD/KOC (pH 5.5): 232098.13
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 219941.45
ACD/KOC (pH 7.4): 232043.59
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

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