ChemSpider 2D Image | Butyl (3beta,7beta,12beta)-12-acetoxy-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate | C33H50O8

Butyl (3β,7β,12β)-12-acetoxy-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID28637673

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,7β,12β)-12-Acétoxy-3,7-dihydroxy-4,4,14-triméthyl-11,15-dioxochol-8-én-24-oate de butyle [French] [ACD/IUPAC Name]
Butyl (3β,7β,12β)-12-acetoxy-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oate [ACD/IUPAC Name]
Butyl-(3β,7β,12β)-12-acetoxy-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oat [German] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 12-(acetyloxy)-3,7-dihydroxy-4,4,14-trimethyl-11,15-dioxo-, butyl ester, (3β,7β,12β)- [ACD/Index Name]
Butyl lucidenate P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1783.67
ACD/KOC (pH 5.5): 7394.16
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1783.67
ACD/KOC (pH 7.4): 7394.16
Polar Surface Area: 127 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 484.4±5.0 cm3

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