Found 41 results

Search term: MF = 'C_{35}H_{50}O_{8}'
ChemSpider 2D Image | [(2,2-Dimethylpropanoyl)oxy]methyl (1R,2S,4R,5R,8R,9S,11R)-9-formyl-13-isopropyl-5-methyl-2-({[(3aR,5R,7R,7aS)-7-methyl-3-methylenehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)tetracyclo[7.4.0.0~2,11 ~.0~4,8~]tridec-12-ene-1-carboxylate | C35H50O8

[(2,2-Dimethylpropanoyl)oxy]methyl (1R,2S,4R,5R,8R,9S,11R)-9-formyl-13-isopropyl-5-methyl-2-({[(3aR,5R,7R,7aS)-7-methyl-3-methylenehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)tetracyclo[7.4.0.02,11 .04,8]tridec-12-ene-1-carboxylate

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID9170776

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,4R,5R,8R,9S,11R)-9-Formyl-13-isopropyl-5-méthyl-2-({[(3aR,5R,7R,7aS)-7-méthyl-3-méthylènehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}méthyl)tétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylat e de [(2,2-diméthylpropanoyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl (1R,2S,4R,5R,8R,9S,11R)-9-formyl-13-isopropyl-5-methyl-2-({[(3aR,5R,7R,7aS)-7-methyl-3-methylenehexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)tetracyclo[7.4.0.02,11 .04,8]tridec-12-ene-1-carboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-(1R,2S,4R,5R,8R,9S,11R)-9-formyl-13-isopropyl-5-methyl-2-({[(3aR,5R,7R,7aS)-7-methyl-3-methylenhexahydro-2H-furo[2,3-c]pyran-5-yl]oxy}methyl)tetracyclo[7.4.0.02,11 .04,8]tridec-12-en-1-carboxylat [German] [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4-formyl-8a-[[[(3aR,5R,7R,7aS)-hexahydro-7-methyl-3-methylene-2H-furo[2,3-c]pyran-5-yl]oxy]methyl]-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl )-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (1R,3aR,4S,4aR,7R,7aR,8aS)- [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: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 265.4±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19785.94
ACD/KOC (pH 5.5): 41392.21
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19785.94
ACD/KOC (pH 7.4): 41392.21
Polar Surface Area: 97 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 502.8±5.0 cm3

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