ChemSpider 2D Image | (1S,3R,5R,6aS,7S,8S,9R,10R)-1,3,10-Triacetoxy-5-hydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-9-yl decanoate | C36H54O10

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

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID8253500

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1S,3R,5R,6aS,7S,8S,9R,10R)-1,3,10-Triacetoxy-5-hydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-9-yl decanoate [ACD/IUPAC Name]
(1S,3R,5R,6aS,7S,8S,9R,10R)-1,3,10-Triacetoxy-5-hydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-9-yl-decanoat [German] [ACD/IUPAC Name]
Décanoate de (1S,3R,5R,6aS,7S,8S,9R,10R)-1,3,10-triacétoxy-5-hydroxy-7,8-diméthyl-7-[(2Z)-3-méthyl-2,4-pentadién-1-yl]-3,5,6,6a,7,8,9,10-octahydronaphto[1,8a-c]furan-9-yle [French] [ACD/IUPAC Name]
Decanoic acid, (1S,3R,5R,6aS,7S,8S,9R,10R)-1,3,10-tris(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-5-hydroxy-7,8-dimethyl-7-[(2Z)-3-methyl-2,4-pentadien-1-yl]-1H-naphtho[1,8a-c]furan-9-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 201.4±25.0 °C
Index of Refraction: 1.527
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 940049.50
ACD/KOC (pH 5.5): 656372.13
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 940047.44
ACD/KOC (pH 7.4): 656370.69
Polar Surface Area: 135 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 560.2±5.0 cm3

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