ChemSpider 2D Image | Methyl 3-[(1S,2R,4bR,6aS,7S,9aR,10R)-10-hydroxy-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]propano ate | C30H42O8

Methyl 3-[(1S,2R,4bR,6aS,7S,9aR,10R)-10-hydroxy-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]propano ate

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID78438354

  • defined stereocentres - 8 of 8 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-10-hydroxy-1,4b,7-trimethyl-2-[(2S)-2-methyloxiranyl]-4,11-dioxo-7-(3-oxopentyl)-, methyl ester, (1S,2R,4bR,6aS,7 S,9aR,10R)- [ACD/Index Name]
3-[(1S,2R,4bR,6aS,7S,9aR,10R)-10-Hydroxy-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]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(1S,2R,4bR,6aS,7S,9aR,10R)-10-hydroxy-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]propano ate [ACD/IUPAC Name]
Methyl-3-[(1S,2R,4bR,6aS,7S,9aR,10R)-10-hydroxy-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]propano at [German] [ACD/IUPAC Name]
Ganoboninone D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 208.5±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.68
ACD/KOC (pH 5.5): 1132.38
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.67
ACD/KOC (pH 7.4): 1132.36
Polar Surface Area: 120 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 424.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement