ChemSpider 2D Image | (1alpha,3beta,9beta)-1-Acetoxy-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid | C33H52O5

(1α,3β,9β)-1-Acetoxy-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID8991318

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3β,9β)-1-(acetyloxy)-3-hydroxy-24-methylidene-9,19-cyclolanostan-28-oic acid
(1α,3β,9β)-1-Acetoxy-3-hydroxy-24-methylen-9,19-cyclolanostan-28-säure [German] [ACD/IUPAC Name]
(1α,3β,9β)-1-Acetoxy-3-hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid [ACD/IUPAC Name]
9,19-Cyclolanostan-28-oic acid, 1-(acetyloxy)-3-hydroxy-24-methylene-, (1α,3β,9β)- [ACD/Index Name]
Acide (1α,3β,9β)-1-acétoxy-3-hydroxy-24-méthylène-9,19-cyclolanostan-28-oïque [French] [ACD/IUPAC Name]
(1S,3S,4S,5R,8S,9S,10S,13R,14S,17R)-1-Acetoxy-17-((R)-1,5-dimethyl-4-methylene-hexyl)-3-hydroxy-4,13,14-trimethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthrene-4-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 184.8±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 16088.05
ACD/KOC (pH 5.5): 14026.18
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 285.79
ACD/KOC (pH 7.4): 249.16
Polar Surface Area: 84 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 469.3±5.0 cm3

Click to predict properties on the Chemicalize site


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