ChemSpider 2D Image | (7alpha,15alpha,22S,24E)-15,22-Diacetoxy-7-hydroxy-3-oxolanosta-8,24-dien-26-oic acid | C34H50O8

(7α,15α,22S,24E)-15,22-Diacetoxy-7-hydroxy-3-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID58825940

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7α,15α,22S,24E)-15,22-Diacetoxy-7-hydroxy-3-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(7α,15α,22S,24E)-15,22-Diacetoxy-7-hydroxy-3-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7α,15α,22S,24E)-15,22-diacétoxy-7-hydroxy-3-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 15,22-bis(acetyloxy)-7-hydroxy-3-oxo-, (7α,15α,22S,24E)- [ACD/Index Name]
ganorbiformin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 209.1±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2027.27
ACD/KOC (pH 5.5): 4939.75
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 32.88
ACD/KOC (pH 7.4): 80.12
Polar Surface Area: 127 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 493.6±5.0 cm3

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