ChemSpider 2D Image | (3beta)-3-[(3-Carboxy-3-methylbutanoyl)oxy]olean-18-en-28-oic acid | C36H56O6

(3β)-3-[(3-Carboxy-3-methylbutanoyl)oxy]olean-18-en-28-oic acid

  • Molecular FormulaC36H56O6
  • Average mass584.826 Da
  • Monoisotopic mass584.407715 Da
  • ChemSpider ID429159

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(3-Carboxy-3-methylbutanoyl)oxy]olean-18-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Carboxy-3-methylbutanoyl)oxy]olean-18-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(3-carboxy-3-méthylbutanoyl)oxy]oléan-18-én-28-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2,2-dimethyl-, 4-[(3β)-28-hydroxy-28-oxoolean-18-en-3-yl] ester [ACD/Index Name]
2,2-Dimethyl-succinic acid 4-((3S,4aR,6aR,6bR,8aS,12bS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-eicosahydro-picen-3-yl) ester
3-O-(3',3'-Dimethylsuccinyl)moronic Acid

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

AIDS113495 [DBID]
AIDS-113495 [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: 664.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 198.4±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.31
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 167347.59
ACD/KOC (pH 5.5): 50527.35
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 359.31
ACD/KOC (pH 7.4): 108.49
Polar Surface Area: 101 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 511.2±5.0 cm3

Click to predict properties on the Chemicalize site


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