ChemSpider 2D Image | Benzyl (3beta)-3-hydroxylupan-28-oate | C37H56O3

Benzyl (3β)-3-hydroxylupan-28-oate

  • Molecular FormulaC37H56O3
  • Average mass548.839 Da
  • Monoisotopic mass548.422974 Da
  • ChemSpider ID410741

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxylupan-28-oate de benzyle [French] [ACD/IUPAC Name]
Benzyl (3β)-3-hydroxylupan-28-oate [ACD/IUPAC Name]
Benzyl-(3β)-3-hydroxylupan-28-oat [German] [ACD/IUPAC Name]
Lupan-28-oic acid, 3-hydroxy-, phenylmethyl ester, (3β)- [ACD/Index Name]
28-O-benzyldihydrobetulinic acid
Dibetulinic acid
Triterpenoid [Wiki]

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

AIDS051807 [DBID]
AIDS-051807 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 214.8±15.4 °C
Index of Refraction: 1.538
Molar Refractivity: 163.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.39
ACD/LogD (pH 5.5): 10.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9768859.00
ACD/LogD (pH 7.4): 10.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9768859.00
Polar Surface Area: 47 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 521.4±3.0 cm3

Click to predict properties on the Chemicalize site


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