ChemSpider 2D Image | (3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)-9-(beta-D-Glucopyranosyloxy)-11a-(hydroxymethyl)-3-isopropyl-3a,5a,5b,8,8-pentamethyl-1-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclo penta[a]chrysen-10-yl acetate | C38H60O10

(3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)-9-(β-D-Glucopyranosyloxy)-11a-(hydroxymethyl)-3-isopropyl-3a,5a,5b,8,8-pentamethyl-1-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclo penta[a]chrysen-10-yl acetate

  • Molecular FormulaC38H60O10
  • Average mass676.877 Da
  • Monoisotopic mass676.418640 Da
  • ChemSpider ID24686769

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)-9-(β-D-Glucopyranosyloxy)-11a-(hydroxymethyl)-3-isopropyl-3a,5a,5b,8,8-pentamethyl-1-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclo penta[a]chrysen-10-yl acetate [ACD/IUPAC Name]
(3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)-9-(β-D-Glucopyranosyloxy)-11a-(hydroxymethyl)-3-isopropyl-3a,5a,5b,8,8-pentamethyl-1-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-1H-cyclo penta[a]chrysen-10-yl-acetat [German] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysen-1-one, 10-(acetyloxy)-9-(β-D-glucopyranosyloxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadecahydro-11a-(hydroxymethyl)-3a,5a,5b,8,8-pentamethyl-3-(1-methylethyl)- , (3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)- [ACD/Index Name]
Acétate de (3S,3aR,5aS,5bR,7aR,9R,10R,11aS,11bS)-9-(β-D-glucopyranosyloxy)-11a-(hydroxyméthyl)-3-isopropyl-3a,5a,5b,8,8-pentaméthyl-1-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-octadécahyd ro-1H-cyclopenta[a]chrysén-10-yle [French] [ACD/IUPAC Name]
hyalodendroside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.1±6.0 kJ/mol
Flash Point: 228.4±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 178.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 742.28
ACD/KOC (pH 5.5): 3947.80
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 742.28
ACD/KOC (pH 7.4): 3947.77
Polar Surface Area: 163 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 534.4±5.0 cm3

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