ChemSpider 2D Image | (E)-ethyl 15-ethyl-12-hydroxy-25-(2'-hydroxy-3'-(methoxycarbonyl)phenyl)-24-methyl-1-oxo-icosahydro-1H-furopyrano[2,3-c]oxacyclononadecine-6-carboxylate | C37H54O10

(E)-ethyl 15-ethyl-12-hydroxy-25-(2'-hydroxy-3'-(methoxycarbonyl)phenyl)-24-methyl-1-oxo-icosahydro-1H-furopyrano[2,3-c]oxacyclononadecine-6-carboxylate

  • Molecular FormulaC37H54O10
  • Average mass658.819 Da
  • Monoisotopic mass658.371704 Da
  • ChemSpider ID98309208

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3aR,5S,12R,18R,20Z,22aS)-21-Éthyl-18-hydroxy-5-[2-hydroxy-3-(méthoxycarbonyl)phényl]-4a-méthyl-7-oxo-3,3a,4a,5,7,8,9,10,11,12,13,14,15,16,17,18,19,21a,22,22a-icosahydro-1H-furo[3',4':5,6]pyrano[2,3-c ]oxacyclononadécine-12-carboxylate d'éthyle [French] [ACD/IUPAC Name]
(E)-ethyl 15-ethyl-12-hydroxy-25-(2'-hydroxy-3'-(methoxycarbonyl)phenyl)-24-methyl-1-oxo-icosahydro-1H-furopyrano[2,3-c]oxacyclononadecine-6-carboxylate
1H-Furo[3',4':5,6]pyrano[2,3-c]oxacyclononadecin-12-carboxylic acid, 21-ethyl-3,3a,4a,5,7,8,9,10,11,12,13,14,15,16,17,18,19,21a,22,22a-eicosahydro-18-hydroxy-5-[2-hydroxy-3-(methoxycarbonyl)phenyl]-4a -methyl-7-oxo-, ethyl ester, (3aR,5S,12R,18R,20Z,22aS)- [ACD/Index Name]
Ethyl (3aR,5S,12R,18R,20Z,22aS)-21-ethyl-18-hydroxy-5-[2-hydroxy-3-(methoxycarbonyl)phenyl]-4a-methyl-7-oxo-3,3a,4a,5,7,8,9,10,11,12,13,14,15,16,17,18,19,21a,22,22a-icosahydro-1H-furo[3',4':5,6]pyrano [2,3-c]oxacyclononadecine-12-carboxylate [ACD/IUPAC Name]
Ethyl-(3aR,5S,12R,18R,20Z,22aS)-21-ethyl-18-hydroxy-5-[2-hydroxy-3-(methoxycarbonyl)phenyl]-4a-methyl-7-oxo-3,3a,4a,5,7,8,9,10,11,12,13,14,15,16,17,18,19,21a,22,22a-icosahydro-1H-furo[3',4':5,6]pyrano [2,3-c]oxacyclononadecin-12-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 736.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 219.2±26.4 °C
Index of Refraction: 1.510
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45259.10
ACD/KOC (pH 5.5): 74833.64
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44139.74
ACD/KOC (pH 7.4): 72982.83
Polar Surface Area: 138 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 588.1±3.0 cm3

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