Found 1 result

Search term: 64808907 (Found by CSID)
ChemSpider 2D Image | 3-[(2aS,4S,5aR,6aR,7S,10aS,10bR,10cS)-8-Isopropenyl-4-(methoxycarbonyl)-4,5a,7,10a-tetramethyl-1,5-dioxo-1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodecahydrobenzo[g]furo[4,3,2-ij]isochromen-7-yl]propanoic ac id | C26H34O8

3-[(2aS,4S,5aR,6aR,7S,10aS,10bR,10cS)-8-Isopropenyl-4-(methoxycarbonyl)-4,5a,7,10a-tetramethyl-1,5-dioxo-1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodecahydrobenzo[g]furo[4,3,2-ij]isochromen-7-yl]propanoic ac id

  • Molecular FormulaC26H34O8
  • Average mass474.543 Da
  • Monoisotopic mass474.225372 Da
  • ChemSpider ID64808907

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3-[(2aS,4S,5aR,6aR,7S,10aS,10bR,10cS)-8-Isopropenyl-4-(methoxycarbonyl)-4,5a,7,10a-tetramethyl-1,5-dioxo-1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodecahydrobenzo[g]furo[4,3,2-ij]isochromen-7-yl]propanoic ac id [ACD/IUPAC Name]
3-[(2aS,4S,5aR,6aR,7S,10aS,10bR,10cS)-8-Isopropenyl-4-(methoxycarbonyl)-4,5a,7,10a-tetramethyl-1,5-dioxo-1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodecahydrobenzo[g]furo[4,3,2-ij]isochromen-7-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2aS,4S,5aR,6aR,7S,10aS,10bR,10cS)-8-isopropényl-4-(méthoxycarbonyl)-4,5a,7,10a-tétraméthyl-1,5-dioxo-1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodécahydrobenzo[g]furo[4,3,2-ij]isochromén-7-yl]propan oïque [French] [ACD/IUPAC Name]
Benzo[g]furo[4,3,2-ij][2]benzopyran-7-propanoic acid, 1,2a,4,5,5a,6,6a,7,10,10a,10b,10c-dodecahydro-4-(methoxycarbonyl)-4,5a,7,10a-tetramethyl-8-(1-methylethenyl)-1,5-dioxo-, (2aS,4S,5aR,6aR,7S,10aS,1 0bR,10cS)- [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: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 204.1±25.0 °C
Index of Refraction: 1.526
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 40.27
ACD/KOC (pH 5.5): 276.94
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.38
Polar Surface Area: 116 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 391.5±3.0 cm3

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