ChemSpider 2D Image | (1beta,5alpha,7beta,11beta)-7,11-Dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oic acid | C27H38O6

(1β,5α,7β,11β)-7,11-Dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oic acid

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID78440769

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1β,5α,7β,11β)-7,11-Dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-oic acid [ACD/IUPAC Name]
(1β,5α,7β,11β)-7,11-Dihydroxy-4,4,14-trimethyl-3,15-dioxo-1,11-cyclochol-8-en-24-säure [German] [ACD/IUPAC Name]
1,11-Cyclochol-8-en-24-oic acid, 7,11-dihydroxy-4,4,14-trimethyl-3,15-dioxo-, (1β,5α,7β,11β)- [ACD/Index Name]
Acide (1β,5α,7β,11β)-7,11-dihydroxy-4,4,14-triméthyl-3,15-dioxo-1,11-cyclochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Ganosinensic acid A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 351.2±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 51.92
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 357.5±5.0 cm3

Click to predict properties on the Chemicalize site


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