Found 25 results

Search term: MF = 'C_{36}H_{56}O_{5}'
ChemSpider 2D Image | Ethyl (2R,3S)-3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-2-oxiranecarboxylate | C36H56O5

Ethyl (2R,3S)-3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-2-oxiranecarboxylate

  • Molecular FormulaC36H56O5
  • Average mass568.827 Da
  • Monoisotopic mass568.412781 Da
  • ChemSpider ID24644537

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2R,3S)-3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Acétoxy-1-isopropényl-5a,5b,8,8,11a-pentaméthylicosahydro-3aH-cyclopenta[a]chrysén-3a-yl]-2-oxiranecarboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxiranecarboxylic acid, 3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)eicosahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-3aH-cyclopenta[a]chrysen-3a-yl]-, ethyl ester, (2R,3S)- [ACD/Index Name]
Ethyl (2R,3S)-3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-2-oxiranecarboxylate [ACD/IUPAC Name]
Ethyl-(2R,3S)-3-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]-2-oxirancarboxylat [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: 581.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 237.2±28.8 °C
Index of Refraction: 1.537
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1930322.00
ACD/LogD (pH 7.4): 9.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1930322.00
Polar Surface Area: 65 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 516.7±5.0 cm3

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