ChemSpider 2D Image | (3beta,7alpha,22S,24E)-3,22-Diacetoxy-7-methoxylanosta-8,24-dien-26-oic acid | C35H54O7

(3β,7α,22S,24E)-3,22-Diacetoxy-7-methoxylanosta-8,24-dien-26-oic acid

  • Molecular FormulaC35H54O7
  • Average mass586.799 Da
  • Monoisotopic mass586.386963 Da
  • ChemSpider ID58914575

  • 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

(3β,7α,22S,24E)-3,22-Diacetoxy-7-methoxylanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,7α,22S,24E)-3,22-Diacetoxy-7-methoxylanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7α,22S,24E)-3,22-diacétoxy-7-méthoxylanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,22-bis(acetyloxy)-7-methoxy-, (3β,7α,22S,24E)- [ACD/Index Name]
(22S,24E)-3β,22-diacetoxy-7α-methoxylanosta-8,24-dien-26-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±6.0 kJ/mol
Flash Point: 191.9±25.0 °C
Index of Refraction: 1.534
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 95215.84
ACD/KOC (pH 5.5): 77711.59
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 1544.60
ACD/KOC (pH 7.4): 1260.64
Polar Surface Area: 99 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 521.6±5.0 cm3

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