ChemSpider 2D Image | (1S,5aS,9R,9aS,9bS)-1-Hydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl (2E)-3-(4-hydroxyphenyl)acrylate | C24H30O5

(1S,5aS,9R,9aS,9bS)-1-Hydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC24H30O5
  • Average mass398.492 Da
  • Monoisotopic mass398.209320 Da
  • ChemSpider ID29355667

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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Natural Product Updates

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

(1S,5aS,9R,9aS,9bS)-1-Hydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(1S,5aS,9R,9aS,9bS)-1-Hydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(4-Hydroxyphényl)acrylate de (1S,5aS,9R,9aS,9bS)-1-hydroxy-6,6,9a-triméthyl-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-9-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1S,5aS,9R,9aS,9bS)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-9-yl ester, (2E)- [ACD/Index Name]
1b-p-hydroxy-E-cinnamoyldrimeninol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 188.2±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 854.07
ACD/KOC (pH 5.5): 4364.73
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 849.65
ACD/KOC (pH 7.4): 4342.14
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 320.8±5.0 cm3

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