ChemSpider 2D Image | (3beta,5alpha,7beta)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid | C27H40O7

(3β,5α,7β)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid

  • Molecular FormulaC27H40O7
  • Average mass476.602 Da
  • Monoisotopic mass476.277405 Da
  • ChemSpider ID57579953

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5α,7β)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-oic acid [ACD/IUPAC Name]
(3β,5α,7β)-3,7,12-Trihydroxy-4,4,14-trimethyl-11,15-dioxochol-8-en-24-säure [German] [ACD/IUPAC Name]
Acide (3β,5α,7β)-3,7,12-trihydroxy-4,4,14-triméthyl-11,15-dioxochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 3,7,12-trihydroxy-4,4,14-trimethyl-11,15-dioxo-, (3β,5α,7β)- [ACD/Index Name]
95311-96-9 [RN]
lucidenic acid C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 377.0±28.0 °C
Index of Refraction: 1.582
Molar Refractivity: 124.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 56.43
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement