ChemSpider 2D Image | (1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-1,4-Dihydroxy-3,5b,8,8,11a,13a-hexamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one | C26H42O4

(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-1,4-Dihydroxy-3,5b,8,8,11a,13a-hexamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one

  • Molecular FormulaC26H42O4
  • Average mass418.609 Da
  • Monoisotopic mass418.308319 Da
  • ChemSpider ID35517135

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-1,4-Dihydroxy-3,5b,8,8,11a,13a-hexamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-on [German] [ACD/IUPAC Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-1,4-Dihydroxy-3,5b,8,8,11a,13a-hexamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one [ACD/IUPAC Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-1,4-Dihydroxy-3,5b,8,8,11a,13a-hexaméthyloctadécahydrochryséno[1,2-c]furan-13(1H)-one [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-13(1H)-one, octadecahydro-1,4-dihydroxy-3,5b,8,8,11a,13a-hexamethyl-, (1R,3S,3aS,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bS)- [ACD/Index 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: 535.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 173.0±23.6 °C
Index of Refraction: 1.528
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2837.00
ACD/KOC (pH 5.5): 10307.46
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2836.98
ACD/KOC (pH 7.4): 10307.39
Polar Surface Area: 67 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

Click to predict properties on the Chemicalize site


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