ChemSpider 2D Image | acetyl-podocarpic dimer | C38H46O7

acetyl-podocarpic dimer

  • Molecular FormulaC38H46O7
  • Average mass614.768 Da
  • Monoisotopic mass614.324341 Da
  • ChemSpider ID8006160

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4aS,10aR)-6-Acetoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrencarbonsäureanhydrid [German] [ACD/IUPAC Name]
(1S,4aS,10aR)-6-Acetoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenecarboxylic anhydride [ACD/IUPAC Name]
acetyl-podocarpic dimer
Anhydride (1S,4aS,10aR)-6-acétoxy-1,4a-diméthyl-1,2,3,4,4a,9,10,10a-octahydro-1-phénanthrènecarboxylique [French] [ACD/IUPAC Name]
(1S,4aS,10aR)-6-(acetyloxy)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic anhydride (non-preferred name)
[(1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
[(1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
[344327-48-6] [RN]
344327-48-6 [RN]
6-(Acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-1-phenanthrenecarboxylic acid, anhydride
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 695.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 284.6±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 169.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 8.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1000464.56
ACD/LogD (pH 7.4): 8.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1000464.56
Polar Surface Area: 96 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 525.4±3.0 cm3

Click to predict properties on the Chemicalize site


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