ChemSpider 2D Image | Methyl 2-[(1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)-3-hydroxy-1b,7,10b-trimethyl-9-methylene-2,6-dioxo-1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa[4',5']c yclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4-yl]propanoate | C31H34O6

Methyl 2-[(1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)-3-hydroxy-1b,7,10b-trimethyl-9-methylene-2,6-dioxo-1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa[4',5']c yclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4-yl]propanoate

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID58927565

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

2-[(1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)-3-Hydroxy-1b,7,10b-triméthyl-9-méthylène-2,6-dioxo-1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadécahydrocyclopropa[4,5]cyclopropa[4',5']cyclopen ta[1',2':7,8]acéphénanthryléno[10a,10-b]furan-4-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Cyclopropa[4,5]cyclopropa[4',5']cyclopent[1',2':7,8]acephenanthryleno[10a,10-b]furan-4-acetic acid, 1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydro-3-hydroxy-α,1b,7,10b-tetramethyl-9- methylene-2,6-dioxo-, methyl ester, (1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)- [ACD/Index Name]
Methyl 2-[(1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)-3-hydroxy-1b,7,10b-trimethyl-9-methylene-2,6-dioxo-1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa[4',5']c yclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4-yl]propanoate [ACD/IUPAC Name]
Methyl-2-[(1aR,1bS,4aR,4bS,8aS,9aS,10aR,10bS,10cS,11bS)-3-hydroxy-1b,7,10b-trimethyl-9-methylen-2,6-dioxo-1,1a,1b,2,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa[4',5']cy clopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4-yl]propanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 234.6±26.4 °C
Index of Refraction: 1.645
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7090.54
ACD/KOC (pH 5.5): 19850.11
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6493.21
ACD/KOC (pH 7.4): 18177.87
Polar Surface Area: 90 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 365.1±5.0 cm3

Click to predict properties on the Chemicalize site


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