ChemSpider 2D Image | (7alpha,8alpha,15alpha,20E)-15-Hydroxy-3,12,23-trioxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid | C30H40O7

(7α,8α,15α,20E)-15-Hydroxy-3,12,23-trioxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID9930859

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(7α,8α,15α,20E)-15-Hydroxy-3,12,23-trioxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid [ACD/IUPAC Name]
(7α,8α,15α,20E)-15-Hydroxy-3,12,23-trioxo-7,8-epoxylanosta-9(11),20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7α,8α,15α,20E)-15-hydroxy-3,12,23-trioxo-7,8-époxylanosta-9(11),20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-9(11),20(22)-dien-26-oic acid, 7,8-epoxy-15-hydroxy-3,12,23-trioxo-, (7α,8α,15α,20E)- [ACD/Index Name]
Applanoxidic 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: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 223.9±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 53.80
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

Click to predict properties on the Chemicalize site


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