ChemSpider 2D Image | (3beta,5xi,9xi,22beta)-Olean-12-ene-3,22,24-triol | C30H50O3

(3β,5ξ,9ξ,22β)-Olean-12-ene-3,22,24-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID21470462

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,22β)-Olean-12-en-3,22,24-triol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,22β)-Olean-12-ene-3,22,24-triol [ACD/IUPAC Name]
(3β,5ξ,9ξ,22β)-Oléan-12-ène-3,22,24-triol [French] [ACD/IUPAC Name]
Olean-12-ene-3,22,24-triol, (3β,5ξ,9ξ,22β)- [ACD/Index Name]
(3S,4S,6aR,6bS,8aR,9R,12aS,14bR)-4-Hydroxymethyl-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-3,9-diol
595-15-3 [RN]
soyasapogenol B
  • Miscellaneous

    • Compound Source:

      Medicago, Astragalus, Trifolium spp Rudolf Boehm Institute [01504608]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 226.6±24.7 °C
Index of Refraction: 1.562
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 165948.77
ACD/KOC (pH 5.5): 189685.53
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 165948.77
ACD/KOC (pH 7.4): 189685.53
Polar Surface Area: 61 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

Click to predict properties on the Chemicalize site


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