ChemSpider 2D Image | (3beta,5xi,9xi,19alpha,20beta)-Urs-12-en-3-ol | C30H50O

(3β,5ξ,9ξ,19α,20β)-Urs-12-en-3-ol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID35014182

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,19α,20β)-Urs-12-en-3-ol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,19α,20β)-Urs-12-en-3-ol [ACD/IUPAC Name]
(3β,5ξ,9ξ,19α,20β)-Urs-12-én-3-ol [French] [ACD/IUPAC Name]
Urs-12-en-3-ol, (3β,5ξ,9ξ,19α,20β)- [ACD/Index Name]
(3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
(3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
101915-51-9 [RN]
Carissol
Epi-a-amyrin
Epi-α-amyrin

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.7±6.0 kJ/mol
Flash Point: 218.6±21.0 °C
Index of Refraction: 1.538
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 10.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8105265.00
ACD/LogD (pH 7.4): 10.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8105265.00
Polar Surface Area: 20 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 421.6±5.0 cm3

Click to predict properties on the Chemicalize site


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