ChemSpider 2D Image | (1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-Hydroxy-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethylicosahydrochryseno[1,2-c]furan-13-yl acetate | C30H50O6

(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-Hydroxy-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethylicosahydrochryseno[1,2-c]furan-13-yl acetate

  • Molecular FormulaC30H50O6
  • Average mass506.714 Da
  • Monoisotopic mass506.360748 Da
  • ChemSpider ID9159194

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-Hydroxy-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethylicosahydrochryseno[1,2-c]furan-13-yl acetate [ACD/IUPAC Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-Hydroxy-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethylicosahydrochryseno[1,2-c]furan-13-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-hydroxy-1,3-diméthoxy-3,5b,8,8,11a,13a-hexaméthylicosahydrochryséno[1,2-c]furan-13-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-4,13-diol, eicosahydro-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethyl-, 13-acetate, (1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)- [ACD/Index Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13S,13aS,13bS)-4-hydroxy-1,3-dimethoxy-3,5b,8,8,11a,13a-hexamethylicosahydrochryseno[2,1-c]furan-13-yl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503492/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 166.6±23.6 °C
Index of Refraction: 1.530
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29375.36
ACD/KOC (pH 5.5): 54924.62
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29375.36
ACD/KOC (pH 7.4): 54924.62
Polar Surface Area: 74 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

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