ChemSpider 2D Image | Methyl (1beta,7beta,11beta)-7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oate | C28H40O6

Methyl (1β,7β,11β)-7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oate

  • Molecular FormulaC28H40O6
  • Average mass472.614 Da
  • Monoisotopic mass472.282501 Da
  • ChemSpider ID28287616

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

Featured data source
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(1β,7β,11β)-7,11-Dihydroxy-4,4,14-triméthyl-3,15-dioxo-1,11-cyclochol-8-én-24-oate de méthyle [French] [ACD/IUPAC Name]
1,11-Cyclochol-8-en-24-oic acid, 7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-, methyl ester, (1β,7β,11β)- [ACD/Index Name]
Methyl (1β,7β,11β)-7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oate [ACD/IUPAC Name]
Methyl-(1β,7β,11β)-7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oat [German] [ACD/IUPAC Name]
methyl ganosinensate A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 190.0±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.97
ACD/KOC (pH 5.5): 628.52
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.97
ACD/KOC (pH 7.4): 628.52
Polar Surface Area: 101 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

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