ChemSpider 2D Image | (5S,6S,7S,8R)-8-Acetoxy-6-hydroxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate | C33H38O11

(5S,6S,7S,8R)-8-Acetoxy-6-hydroxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate

  • Molecular FormulaC33H38O11
  • Average mass610.648 Da
  • Monoisotopic mass610.241394 Da
  • ChemSpider ID8636798

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6S,7S,8R)-8-Acetoxy-6-hydroxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl benzoate [ACD/IUPAC Name]
(5S,6S,7S,8R)-8-Acetoxy-6-hydroxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (5S,6S,7S,8R)-8-acétoxy-6-hydroxy-1,2,3,10,11,12-hexaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulén-5-yle [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene-5,6,8-triol, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, 8-acetate 5-benzoate, (5S,6S,7S,8R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 215.1±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1295.96
ACD/KOC (pH 5.5): 5882.92
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1295.96
ACD/KOC (pH 7.4): 5882.91
Polar Surface Area: 128 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 471.3±5.0 cm3

Click to predict properties on the Chemicalize site


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