ChemSpider 2D Image | (1beta,7beta,11beta)-7,11-Dihydroxy-3,15,23-trioxo-1,11-cyclolanost-8-en-26-oic acid | C30H42O7

(1β,7β,11β)-7,11-Dihydroxy-3,15,23-trioxo-1,11-cyclolanost-8-en-26-oic acid

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID78441542

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1β,7β,11β)-7,11-Dihydroxy-3,15,23-trioxo-1,11-cyclolanost-8-en-26-oic acid [ACD/IUPAC Name]
(1β,7β,11β)-7,11-Dihydroxy-3,15,23-trioxo-1,11-cyclolanost-8-en-26-säure [German] [ACD/IUPAC Name]
1,11-Cyclolanost-8-en-26-oic acid, 7,11-dihydroxy-3,15,23-trioxo-, (1β,7β,11β)- [ACD/Index Name]
Acide (1β,7β,11β)-7,11-dihydroxy-3,15,23-trioxo-1,11-cyclolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Ganosinensic acid B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 380.5±28.0 °C
Index of Refraction: 1.585
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.82
ACD/KOC (pH 5.5): 43.17
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 403.2±5.0 cm3

Click to predict properties on the Chemicalize site


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