ChemSpider 2D Image | 3-[(1S,2R,4bR,6aS,7S,9aS)-1,4b,7-Trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,11-dioxo-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 | C29H40O7

3-[(1S,2R,4bR,6aS,7S,9aS)-1,4b,7-Trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,11-dioxo-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 FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID78437646

  • 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, 1,3,4,4b,5,6,6a,7,10,11-decahydro-1,4b,7-trimethyl-2-[(2S)-2-methyloxiranyl]-4,11-dioxo-7-(3-oxopentyl)-, (1S,2R,4bR,6aS,7S,9aS)- [ACD/Index Name]
3-[(1S,2R,4bR,6aS,7S,9aS)-1,4b,7-Trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,11-dioxo-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,2R,4bR,6aS,7S,9aS)-1,4b,7-Trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,11-dioxo-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,2R,4bR,6aS,7S,9aS)-1,4b,7-triméthyl-2-[(2S)-2-méthyl-2-oxiranyl]-4,11-dioxo-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 E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.2±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: 213.5±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 11.93
ACD/KOC (pH 5.5): 110.92
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 110 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

Click to predict properties on the Chemicalize site


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