ChemSpider 2D Image | Methyl 3-[(1S,2R,4bS,6aS,7S,9aR)-1,4b,7-trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,10,11-trioxo-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]propanoate | C30H40O8

Methyl 3-[(1S,2R,4bS,6aS,7S,9aR)-1,4b,7-trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,10,11-trioxo-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]propanoate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID78438229

  • 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]-4,10,11-trioxo-7-(3-oxopentyl)-, methyl ester, (1S,2R,4bS,6aS,7S,9aR)- [ACD/Index Name]
3-[(1S,2R,4bS,6aS,7S,9aR)-1,4b,7-Triméthyl-2-[(2S)-2-méthyl-2-oxiranyl]-4,10,11-trioxo-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,4bS,6aS,7S,9aR)-1,4b,7-trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,10,11-trioxo-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]propanoate [ACD/IUPAC Name]
Methyl-3-[(1S,2R,4bS,6aS,7S,9aR)-1,4b,7-trimethyl-2-[(2S)-2-methyl-2-oxiranyl]-4,10,11-trioxo-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]propanoat [German] [ACD/IUPAC Name]
Ganoboninone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 264.2±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.37
ACD/KOC (pH 5.5): 1022.04
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.37
ACD/KOC (pH 7.4): 1022.04
Polar Surface Area: 116 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

Click to predict properties on the Chemicalize site


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