ChemSpider 2D Image | shizukaol A | C31H34O6

shizukaol A

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID35518310

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9aR,10aS,10bS,10cS,11bS)-2-Hydroxy-1b,7,10b-triméthyl-9-méthylène-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadécahydrocyclopropa[4,5]cyclopropa[4',5'] cyclopenta[1',2':7,8]acéphénanthryléno[10a,10-b]furan-4(1H)-ylidène]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9aR,10aS,10bS,10cS,11bS)-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa [4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]propanoate [ACD/IUPAC Name]
Methyl-(2Z)-2-[(1aR,1bS,2R,4aR,4bS,8aS,9aR,10aS,10bS,10cS,11bS)-2-hydroxy-1b,7,10b-trimethyl-9-methylen-3,6-dioxo-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydrocyclopropa[4,5]cyclopropa[ 4',5']cyclopenta[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-yliden]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(1aR,1bS,2R,4aR,4bS,8aS,9aR,10aS,10bS,10cS,11bS)-1a,1b,2,3,4a,6,8,8a,9,9a,10,10a,10b,10c,11,11b-hexadecahydro-2-hydroxy-1b,7,10b-trimethyl-9-methylene-3,6-dioxocyclopropa[4,5]cyclop ropa[4',5']cyclopent[1',2':7,8]acephenanthryleno[10a,10-b]furan-4(1H)-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]
shizukaol A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.1±6.0 kJ/mol
Flash Point: 234.9±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: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1257.61
ACD/KOC (pH 5.5): 5757.78
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1257.60
ACD/KOC (pH 7.4): 5757.71
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


Advertisement