ChemSpider 2D Image | 11-[(Benzoyloxy)methyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl 4-aminobenzoate | C44H59NO5

11-[(Benzoyloxy)methyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl 4-aminobenzoate

  • Molecular FormulaC44H59NO5
  • Average mass681.943 Da
  • Monoisotopic mass681.439331 Da
  • ChemSpider ID35014140

More details:

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

11-[(Benzoyloxy)methyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl 4-aminobenzoate [ACD/IUPAC Name]
11-[(Benzoyloxy)methyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picenyl-4-aminobenzoat [German] [ACD/IUPAC Name]
3,6-Picenediol, 11-[(benzoyloxy)methyl]-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-eicosahydro-4,4,6b,8a,11,12b,14b-heptamethyl-, 3-(4-aminobenzoate) [ACD/Index Name]
4-Aminobenzoate de 11-[(benzoyloxy)méthyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptaméthyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydro-3-picényle [French] [ACD/IUPAC Name]
11-[(benzoyloxy)methyl]-6-hydroxy-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl 4-aminobenzoate
7-Epizucchini factor A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.6±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 197.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 12.30
ACD/LogD (pH 5.5): 11.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 577.4±5.0 cm3

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