Found 1 result

Search term: VHLRBCSFMDETIW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2S,3S)-4-oxo-1,5-dioxaspiro[2.4]hept-2-yl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate | C36H54O5

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2S,3S)-4-oxo-1,5-dioxaspiro[2.4]hept-2-yl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID24651674
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2S,3S)-4-oxo-1,5-dioxaspiro[2.4]hept-2-yl]icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate [ACD/IUPAC Name]
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-[(2S,3S)-4-oxo-1,5-dioxaspiro[2.4]hept-2-yl]icosahydro-1H-cyclopenta[a]chrysen-9-yl-acetat [German] [ACD/IUPAC Name]
1,5-Dioxaspiro[2.4]heptan-4-one, 2-[(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]-, (2S,3S)- [ACD/Index Name]
Acétate de (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropényl-5a,5b,8,8,11a-pentaméthyl-3a-[(2S,3S)-4-oxo-1,5-dioxaspiro[2.4]hept-2-yl]icosahydro-1H-cyclopenta[a]chrysén-9-yle [French] [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: 620.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 255.1±28.8 °C
Index of Refraction: 1.553
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.16
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1315954.13
ACD/LogD (pH 7.4): 8.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1315954.13
Polar Surface Area: 65 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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