ChemSpider 2D Image | Siccanin | C22H30O3

Siccanin

  • Molecular FormulaC22H30O3
  • Average mass342.472 Da
  • Monoisotopic mass342.219482 Da
  • ChemSpider ID58172728

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aS,6aS,13aR,13bS)-4,4,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydrobenzo[a]furo[2,3,4-mn]xanthen-11-ol [German] [ACD/IUPAC Name]
(4aS,6aS,13aR,13bS)-4,4,6a,9-Tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydrobenzo[a]furo[2,3,4-mn]xanthen-11-ol [ACD/IUPAC Name]
(4aS,6aS,13aR,13bS)-4,4,6a,9-Tétraméthyl-1,2,3,4,4a,5,6,6a,11b,13b-décahydrobenzo[a]furo[2,3,4-mn]xanthén-11-ol [French] [ACD/IUPAC Name]
13H-Benzo[a]furo[2,3,4-mn]xanthen-11-ol, 1,2,3,4,4a,5,6,6a,11b,13b-decahydro-4,4,6a,9-tetramethyl-, (4aS,6aS,13aR,13bS)- [ACD/Index Name]
22733-60-4 [RN]
Siccanin [JP15] [Trade name]
(4aS,6aS,11bR,13aS,13bS)-2,3,4,4a,5,6,6a,13b-octahydro-4,4,6a,9-tetramethyl-1H,11bH,13H-benzo[a]furo[2,3,4-mn]xanthen-11-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 427.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 212.5±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18160.53
ACD/KOC (pH 5.5): 38927.39
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17981.21
ACD/KOC (pH 7.4): 38543.01
Polar Surface Area: 39 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement