ChemSpider 2D Image | Methyl 3-[(1S,2S,5R,9S,10S,14S,17R)-17-ethyl-9-isopropenyl-1,5,10-trimethyl-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.0~2,14~.0~5,14~.0~6,11~]icos-6(11)-en-10-yl]propanoate | C30H42O6

Methyl 3-[(1S,2S,5R,9S,10S,14S,17R)-17-ethyl-9-isopropenyl-1,5,10-trimethyl-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoate

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID58112262

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-[(1S,2S,5R,9S,10S,14S,17R)-17-Éthyl-9-isopropényl-1,5,10-triméthyl-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-én-10-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
7,10-Epoxy-12H-benz[4,5]indeno[7a,1-c]oxocin-1-propanoic acid, 10-ethyl-1,2,3,4,4b,5,6,6a,7,8,9,10,13,14-tetradecahydro-1,4b,7-trimethyl-2-(1-methylethenyl)-4,14-dioxo-, methyl ester, (1S,2S,4bR,6aS,7 S,10R,12aS)- [ACD/Index Name]
Methyl 3-[(1S,2S,5R,9S,10S,14S,17R)-17-ethyl-9-isopropenyl-1,5,10-trimethyl-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[(1S,2S,5R,9S,10S,14S,17R)-17-ethyl-9-isopropenyl-1,5,10-trimethyl-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoat [German] [ACD/IUPAC Name]
Ganoboninketal 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: 584.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 245.2±30.2 °C
Index of Refraction: 1.549
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1259.61
ACD/KOC (pH 5.5): 5764.33
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1259.61
ACD/KOC (pH 7.4): 5764.33
Polar Surface Area: 79 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 425.3±5.0 cm3

Click to predict properties on the Chemicalize site


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