ChemSpider 2D Image | (1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-Diacetoxy-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoate | C34H48O8

(1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-Diacetoxy-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoate

  • Molecular FormulaC34H48O8
  • Average mass584.740 Da
  • Monoisotopic mass584.334900 Da
  • ChemSpider ID26389674

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-Diacetoxy-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoate [ACD/IUPAC Name]
(1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-Diacetoxy-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl-(2E,4E)-2,4-decadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Décadiénoate de (1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-diacétoxy-5-hydroxy-7,8-diméthyl-7-[(2E)-3-méthyl-2,4-pentadién-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphto[1,8a-c]furan-10-yle [French] [ACD/IUPAC Name]
2,4-Decadienoic acid, (1S,3R,5R,6aS,7R,8R,10R,10aS)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-10-yl ester, (2E, 4E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 199.1±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 258039.36
ACD/KOC (pH 5.5): 260171.28
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 258039.06
ACD/KOC (pH 7.4): 260171.00
Polar Surface Area: 108 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 511.6±5.0 cm3

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