ChemSpider 2D Image | delta-amyrin | C30H50O

δ-amyrin

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID26333109

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-Olean-13(18)-en-3-ol [German] [ACD/IUPAC Name]
(3β)-Olean-13(18)-en-3-ol [ACD/IUPAC Name]
(3β)-Oléan-13(18)-én-3-ol [French] [ACD/IUPAC Name]
508-04-3 [RN]
Olean-13(18)-en-3-ol, (3β)- [ACD/Index Name]
δ-amyrin
&δ
&δ;-amyrenol
&δ;-amyrenol|olean-13(18)-en-3-ol, (3&β;)-
&δ;-amyrin
More...

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

CHEBI:63467 [DBID]
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is oleanane which has a double bond between positions 13 and 18, and in which the hydrogen at the 3<stereo>beta</stereo> position is replaced by a hydroxy group. ChEBI CHEBI:63467
      A pentacyclic triterpenoid that is oleanane which has a double bond between positions 13 and 18, and in which the hydrogen at the 3beta position is replaced by a hydroxy group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63467, CHEBI:63467

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

Density: 1.0±0.1 g/cm3
Boiling Point: 491.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.3±6.0 kJ/mol
Flash Point: 217.8±20.7 °C
Index of Refraction: 1.540
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 11.09
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 420.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement