ChemSpider 2D Image | (1R,2S,3S,5S,8S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.0~2,11~.0~5,10~]hexadec-3-yl (2E)-3-(4-methoxyphenyl)acrylate | C29H30O8

(1R,2S,3S,5S,8S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl (2E)-3-(4-methoxyphenyl)acrylate

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID28286443

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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(1R,2S,3S,5S,8S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl (2E)-3-(4-methoxyphenyl)acrylate [ACD/IUPAC Name]
(1R,2S,3S,5S,8S,11R,13R)-8-(3-Furyl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-3-yl-(2E)-3-(4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(4-Méthoxyphényl)acrylate de (1R,2S,3S,5S,8S,11R,13R)-8-(3-furyl)-10-méthyl-6,15-dioxo-7,14-dioxatétracyclo[11.2.1.02,11.05,10]hexadéc-3-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-methoxyphenyl)-, (2S,4aS,6S,6aS,7R,10R,11aR)-2-(3-furanyl)dodecahydro-11b-methyl-4,8-dioxo-7,10-methano-2H-pyrano[4,3-g][3]benzoxepin-6-yl ester, (2E)- [ACD/Index Name]
[1187951-05-8] [RN]
1187951-05-8 [RN]
Diosbulbin I
MFCD17214901

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.99
ACD/KOC (pH 5.5): 652.16
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.99
ACD/KOC (pH 7.4): 652.16
Polar Surface Area: 101 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 378.4±5.0 cm3

Click to predict properties on the Chemicalize site


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