Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | GUKULENIN A | C42H54O10

GUKULENIN A

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID24677278

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R)-1-[(1R,2R,3R)-2-{4-Hydroxy-2-methyl-3-oxo-6-[(6S,7aR,8R,8aR,11R,11aR)-3,6,8-trihydroxy-11-isopropyl-1,8a-dimethyl-2-oxo-2,5,6,7a,8,8a,9,10,11,11a-decahydrocyclohepta[de]cyclopenta[g]chromen-6-yl] -1,4,6-cycloheptatrien-1-yl}-3-isopropyl-1-methylcyclopentyl]-2-oxoethyl acetate [ACD/IUPAC Name]
(1R)-1-[(1R,2R,3R)-2-{4-Hydroxy-2-methyl-3-oxo-6-[(6S,7aR,8R,8aR,11R,11aR)-3,6,8-trihydroxy-11-isopropyl-1,8a-dimethyl-2-oxo-2,5,6,7a,8,8a,9,10,11,11a-decahydrocyclohepta[de]cyclopenta[g]chromen-6-yl] -1,4,6-cycloheptatrien-1-yl}-3-isopropyl-1-methylcyclopentyl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R)-1-[(1R,2R,3R)-2-{4-hydroxy-2-méthyl-3-oxo-6-[(6S,7aR,8R,8aR,11R,11aR)-3,6,8-trihydroxy-11-isopropyl-1,8a-diméthyl-2-oxo-2,5,6,7a,8,8a,9,10,11,11a-décahydrocyclohepta[de]cyclopenta[g]ch romén-6-yl]-1,4,6-cycloheptatrién-1-yl}-3-isopropyl-1-méthylcyclopentyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetaldehyde, α-(acetyloxy)-2-[6-[(6S,7aR,8R,8aR,11R,11aR)-2,5,6,7a,8,8a,9,10,11,11a-decahydro-3,6,8-trihydroxy-1,8a-dimethyl-11-(1-methylethyl)-2-oxocyclohepta[de]cyclopenta[g][1]benz opyran-6-yl]-4-hydroxy-2-methyl-3-oxo-1,4,6-cycloheptatrien-1-yl]-1-methyl-3-(1-methylethyl)-, (αR,1R,2R,3R)- [ACD/Index Name]
GUKULENIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 895.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.9±6.0 kJ/mol
Flash Point: 269.8±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 191.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10301.11
ACD/KOC (pH 5.5): 25774.57
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 3241.87
ACD/KOC (pH 7.4): 8111.54
Polar Surface Area: 168 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 552.5±5.0 cm3

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