ChemSpider 2D Image | (22beta)-3-Hydroxy-22-[(3-methyl-2-buten-1-yl)oxy]-3,25-epoxyolean-12-en-28-oic acid | C35H54O5

(22β)-3-Hydroxy-22-[(3-methyl-2-buten-1-yl)oxy]-3,25-epoxyolean-12-en-28-oic acid

  • Molecular FormulaC35H54O5
  • Average mass554.800 Da
  • Monoisotopic mass554.397095 Da
  • ChemSpider ID425430

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(22β)-3-Hydroxy-22-[(3-methyl-2-buten-1-yl)oxy]-3,25-epoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(22β)-3-Hydroxy-22-[(3-methyl-2-buten-1-yl)oxy]-3,25-epoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (22β)-3-hydroxy-22-[(3-méthyl-2-butén-1-yl)oxy]-3,25-époxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-2-buten-1-yl)oxy]-, (22β)- [ACD/Index Name]
10-(3-Methylbut-2-enyloxy)(1S,11S,14S,20S,10R,15R)-20-hydroxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0<1,18>.0<2,15>.0<5,14>.0<6,11>]tetracos-4-ene-11-carboxylic acid
Lantanilic acid analog

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

AIDS106904 [DBID]
AIDS-106904 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 195.9±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 84493.84
ACD/KOC (pH 5.5): 54051.90
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 1362.13
ACD/KOC (pH 7.4): 871.37
Polar Surface Area: 76 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 482.0±5.0 cm3

Click to predict properties on the Chemicalize site


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