ChemSpider 2D Image | (+/-)-(rrs)-canbisol | C24H38O3

(±)-(rrs)-canbisol

  • Molecular FormulaC24H38O3
  • Average mass374.557 Da
  • Monoisotopic mass374.282104 Da
  • ChemSpider ID52083645
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(±)-(rrs)-canbisol
(6aR,9S,10aR)-6,6-Dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1,9-diol [German] [ACD/IUPAC Name]
(6aR,9S,10aR)-6,6-Dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol [ACD/IUPAC Name]
(6aR,9S,10aR)-6,6-Diméthyl-3-(2-méthyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromène-1,9-diol [French] [ACD/IUPAC Name]
56469-23-9 [RN]
6H-Dibenzo[b,d]pyran-1,9-diol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-, (6aR,9S,10aR)- [ACD/Index Name]
CANBISOL, (±)-(RRS)-

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

Q45149O98I [DBID]
UNII:Q45149O98I [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 459.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 231.8±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 242025.20
ACD/KOC (pH 5.5): 248505.58
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 241079.45
ACD/KOC (pH 7.4): 247534.50
Polar Surface Area: 50 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

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