Found 17 results

Search term: MF = 'C_{37}H_{50}O_{5}'
ChemSpider 2D Image | Benzyl (5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-5,5,7a,7b,9a,12,15b-heptamethyl-3,15-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-icosahydrochryseno[2,1-c]oxepine-12-carboxylate | C37H50O5

Benzyl (5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-5,5,7a,7b,9a,12,15b-heptamethyl-3,15-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-icosahydrochryseno[2,1-c]oxepine-12-carboxylate

  • Molecular FormulaC37H50O5
  • Average mass574.790 Da
  • Monoisotopic mass574.365845 Da
  • ChemSpider ID26625716

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-5,5,7a,7b,9a,12,15b-Heptaméthyl-3,15-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-icosahydrochryséno[2,1-c]oxépine-12-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl (5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-5,5,7a,7b,9a,12,15b-heptamethyl-3,15-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-icosahydrochryseno[2,1-c]oxepine-12-carboxylate [ACD/IUPAC Name]
Benzyl-(5aR,7aR,7bS,9aS,12S,13aR,15aR,15bS)-5,5,7a,7b,9a,12,15b-heptamethyl-3,15-dioxo-1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-icosahydrochryseno[2,1-c]oxepin-12-carboxylat [German] [ACD/IUPAC Name]
Chryseno[2,1-c]oxepin-12-carboxylic acid, 1,2,3,5,5a,6,7,7a,7b,8,9,9a,10,11,12,13,13a,15,15a,15b-eicosahydro-5,5,7a,7b,9a,12,15b-heptamethyl-3,15-dioxo-, phenylmethyl ester, (5aR,7aR,7bS,9aS,12S,13aR, 15aR,15bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 273.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 163.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 831778.50
ACD/KOC (pH 5.5): 601327.31
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 831778.50
ACD/KOC (pH 7.4): 601327.31
Polar Surface Area: 70 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 499.6±5.0 cm3

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