ChemSpider 2D Image | (3beta,7alpha,8alpha,12alpha,20xi)-3,12,20-Trihydroxy-15,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid | C30H42O8

(3β,7α,8α,12α,20ξ)-3,12,20-Trihydroxy-15,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID8612458

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,7α,8α,12α,20ξ)-3,12,20-Trihydroxy-15,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-oic acid [ACD/IUPAC Name]
(3β,7α,8α,12α,20ξ)-3,12,20-Trihydroxy-15,23-dioxo-7,8-epoxylanosta-9(11),16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7α,8α,12α,20ξ)-3,12,20-trihydroxy-15,23-dioxo-7,8-époxylanosta-9(11),16-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-9(11),16-dien-26-oic acid, 7,8-epoxy-3,12,20-trihydroxy-15,23-dioxo-, (3β,7α,8α,12α,20ξ)- [ACD/Index Name]
Applanoxidic acid H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 736.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 238.5±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 7.80
ACD/KOC (pH 5.5): 91.98
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 145 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

Click to predict properties on the Chemicalize site


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