Found 1 result

Search term: 78436488 (Found by CSID)
ChemSpider 2D Image | (3beta,16alpha)-16-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-methylenelanosta-7,9(11)-dien-21-oic acid | C38H52O6

(3β,16α)-16-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID78436488

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,16α)-16-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-16-Hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-16-hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 16-hydroxy-3-[(4-hydroxybenzoyl)oxy]-24-methylene-, (3β,16α)- [ACD/Index Name]
3β-p-hydroxybenzoyldehydrotumulosic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 220.7±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.85
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 320021.69
ACD/KOC (pH 5.5): 158448.89
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 4282.51
ACD/KOC (pH 7.4): 2120.35
Polar Surface Area: 104 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 512.2±5.0 cm3

Click to predict properties on the Chemicalize site


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