ChemSpider 2D Image | 3-[(1S,2S,4S,4bR,6aS,7S,9aS)-4-Acetoxy-2-isopropenyl-1,4b,7-trimethyl-11-oxo-7-(3-oxopentyl)-1,3,4,4b,5,6,6a,7,10,11-decahydro-2H-benzo[4,5]indeno[1,7a-c]furan-1-yl]propanoic acid | C31H44O7

3-[(1S,2S,4S,4bR,6aS,7S,9aS)-4-Acetoxy-2-isopropenyl-1,4b,7-trimethyl-11-oxo-7-(3-oxopentyl)-1,3,4,4b,5,6,6a,7,10,11-decahydro-2H-benzo[4,5]indeno[1,7a-c]furan-1-yl]propanoic acid

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID78438472

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2H,9H-Benz[4,5]indeno[1,7a-c]furan-1-propanoic acid, 4-(acetyloxy)-1,3,4,4b,5,6,6a,7,10,11-decahydro-1,4b,7-trimethyl-2-(1-methylethenyl)-11-oxo-7-(3-oxopentyl)-, (1S,2S,4S,4bR,6aS,7S,9aS)- [ACD/Index Name]
3-[(1S,2S,4S,4bR,6aS,7S,9aS)-4-Acetoxy-2-isopropenyl-1,4b,7-trimethyl-11-oxo-7-(3-oxopentyl)-1,3,4,4b,5,6,6a,7,10,11-decahydro-2H-benzo[4,5]indeno[1,7a-c]furan-1-yl]propanoic acid [ACD/IUPAC Name]
3-[(1S,2S,4S,4bR,6aS,7S,9aS)-4-Acetoxy-2-isopropenyl-1,4b,7-trimethyl-11-oxo-7-(3-oxopentyl)-1,3,4,4b,5,6,6a,7,10,11-decahydro-2H-benzo[4,5]indeno[1,7a-c]furan-1-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(1S,2S,4S,4bR,6aS,7S,9aS)-4-acétoxy-2-isopropényl-1,4b,7-triméthyl-11-oxo-7-(3-oxopentyl)-1,3,4,4b,5,6,6a,7,10,11-décahydro-2H-benzo[4,5]indéno[1,7a-c]furan-1-yl]propanoïque [French] [ACD/IUPAC Name]
Ganoboninone F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 207.1±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 272.26
ACD/KOC (pH 5.5): 1054.27
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 16.59
Polar Surface Area: 107 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 448.4±5.0 cm3

Click to predict properties on the Chemicalize site


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