Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | Cinnamyl 3b-Hydroxy-11-oxoolean-12-en-30-oate Acetate | C40H54O5

Cinnamyl 3b-Hydroxy-11-oxoolean-12-en-30-oate Acetate

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID16736884

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3-Acétoxy-11-oxooléan-12-én-30-oate de (E)-2-phénylvinyle [French] [ACD/IUPAC Name]
(E)-2-Phenylvinyl (3β)-3-acetoxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
(E)-2-Phenylvinyl-(3β)-3-acetoxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
250-715-9 [EINECS]
2-Phenylvinyl (3b)-3-(Acetyloxy)-11-oxoolean-12-en-30-oate
31581-02-9 [RN]
Cinnamyl 3b-Hydroxy-11-oxoolean-12-en-30-oate Acetate
Cinnamyl 3β-hydroxy-11-oxoolean-12-en-30-oate acetate
Olean-12-en-30-oic acid, 3-(acetyloxy)-11-oxo-, (E)-2-phenylethenyl ester, (3β)- [ACD/Index Name]
Cinoxolone [BAN] [INN]

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

Bx 311 [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: 675.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 274.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 177.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 10.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7020327.00
ACD/LogD (pH 7.4): 10.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7020327.00
Polar Surface Area: 70 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

Click to predict properties on the Chemicalize site


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