ChemSpider 2D Image | (3alpha,12alpha,13alpha,14beta,16beta,17alpha,20R)-3-Acetoxy-12-hydroxy-21,23-dioxo-16,21-epoxylanosta-7,24-dien-28-oic acid | C32H44O8

(3α,12α,13α,14β,16β,17α,20R)-3-Acetoxy-12-hydroxy-21,23-dioxo-16,21-epoxylanosta-7,24-dien-28-oic acid

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID8778245

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,12α,13α,14β,16β,17α,20R)-3-Acetoxy-12-hydroxy-21,23-dioxo-16,21-epoxylanosta-7,24-dien-28-oic acid [ACD/IUPAC Name]
(3α,12α,13α,14β,16β,17α,20R)-3-Acetoxy-12-hydroxy-21,23-dioxo-16,21-epoxylanosta-7,24-dien-28-säure [German] [ACD/IUPAC Name]
Acide (3α,12α,13α,14β,16β,17α,20R)-3-acétoxy-12-hydroxy-21,23-dioxo-16,21-époxylanosta-7,24-dién-28-oïque [French] [ACD/IUPAC Name]
Lanosta-7,24-dien-28-oic acid, 3-(acetyloxy)-16,21-epoxy-12-hydroxy-21,23-dioxo-, (3α,12α,13α,14β,16β,17α,20R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 223.8±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 38.03
ACD/KOC (pH 5.5): 202.51
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 127 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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