ChemSpider 2D Image | (3alpha,13alpha,14beta,16beta,17alpha)-3-Acetoxy-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-oic acid | C32H46O7

(3α,13α,14β,16β,17α)-3-Acetoxy-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-oic acid

  • Molecular FormulaC32H46O7
  • Average mass542.703 Da
  • Monoisotopic mass542.324341 Da
  • ChemSpider ID4450647

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,13α,14β,16β,17α)-3-Acetoxy-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-oic acid [ACD/IUPAC Name]
(3α,13α,14β,16β,17α)-3-Acetoxy-16-hydroxy-21,23-dioxolanosta-7,24-dien-28-säure [German] [ACD/IUPAC Name]
3-acetoxy-17-(1-formyl-5-methyl-3-oxo-hex-4-enyl)-16-hydroxy-4,10,13,14-tetramethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-4-carboxylic acid
Acide (3α,13α,14β,16β,17α)-3-acétoxy-16-hydroxy-21,23-dioxolanosta-7,24-dién-28-oïque [French] [ACD/IUPAC Name]
Lanosta-7,24-dien-28-oic acid, 3-(acetyloxy)-16-hydroxy-21,23-dioxo-, (3α,13α,14β,16β,17α)- [ACD/Index Name]
GR3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 661.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±6.0 kJ/mol
Flash Point: 205.6±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 339.68
ACD/KOC (pH 5.5): 993.92
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 16.36
Polar Surface Area: 118 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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