Found 1 result

Search term: 78441236 (Found by CSID)
ChemSpider 2D Image | Methyl (3beta,4beta,7beta)-3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxochol-8-en-24-oate | C28H42O7

Methyl (3β,4β,7β)-3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxochol-8-en-24-oate

  • Molecular FormulaC28H42O7
  • Average mass490.629 Da
  • Monoisotopic mass490.293060 Da
  • ChemSpider ID78441236

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,4β,7β)-3,7-Dihydroxy-4-(hydroxyméthyl)-4,14-diméthyl-11,15-dioxochol-8-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxo-, methyl ester, (3β,4β,7β)- [ACD/Index Name]
Methyl (3β,4β,7β)-3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxochol-8-en-24-oate [ACD/IUPAC Name]
Methyl-(3β,4β,7β)-3,7-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-11,15-dioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
methyl Lucidenate Ha

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 204.9±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.06
ACD/KOC (pH 5.5): 444.02
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.06
ACD/KOC (pH 7.4): 444.02
Polar Surface Area: 121 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


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