ChemSpider 2D Image | Methyl (2S,2'S,4a'S,8a'S)-6,7-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylate | C23H32O5

Methyl (2S,2'S,4a'S,8a'S)-6,7-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylate

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID30770983

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,2'S,4a'S,8a'S)-6,7-Dihydroxy-2',5',5',8a'-tétraméthyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S,2'S,4a'S,8a'S)-6,7-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,2'S,4a'S,8a'S)-6,7-dihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'H,3H-spiro[1-benzofuran-2,1'-naphthalene]-5-carboxylat [German] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'(2'H)-naphthalene]-5-carboxylic acid, 3',4',4'a,5',6',7',8',8'a-octahydro-6,7-dihydroxy-2',5',5',8'a-tetramethyl-, methyl ester, (2S,2'S,4a'S,8a'S)- [ACD/Index Name]
cyclospongiacatechol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 173.1±23.6 °C
Index of Refraction: 1.585
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 115736.25
ACD/KOC (pH 5.5): 146517.09
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 107471.28
ACD/KOC (pH 7.4): 136054.00
Polar Surface Area: 76 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 316.0±5.0 cm3

Click to predict properties on the Chemicalize site


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