ChemSpider 2D Image | (1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-8-(Hydroxymethyl)-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-1-ol | C24H36O3

(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-8-(Hydroxymethyl)-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-1-ol

  • Molecular FormulaC24H36O3
  • Average mass372.541 Da
  • Monoisotopic mass372.266449 Da
  • ChemSpider ID35516870

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-8-(Hydroxymethyl)-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-1-ol [German] [ACD/IUPAC Name]
(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-8-(Hydroxymethyl)-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-1-ol [ACD/IUPAC Name]
(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-8-(Hydroxyméthyl)-8,11a,13a-triméthyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadécahydrochryséno[1,2-c]furan-1-ol [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-8-methanol, 1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1-hydroxy-8,11a,13a-trimethyl-, (1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2387.26
ACD/KOC (pH 5.5): 9109.54
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2387.25
ACD/KOC (pH 7.4): 9109.51
Polar Surface Area: 50 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 319.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement