ChemSpider 2D Image | (1alpha,4aalpha,4bbeta,10beta)-4a-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylate | C20H24O6

(1α,4aα,4bβ,10β)-4a-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylate

  • Molecular FormulaC20H24O6
  • Average mass360.402 Da
  • Monoisotopic mass360.158386 Da
  • ChemSpider ID26333189

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1α,4aα,4bβ,10β)-4a-Formyl-7-hydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylate [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-4a-Formyl-7-hydroxy-1-méthyl-8-méthylènegibbane-1,10-dicarboxylate [French] [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-4a-Formyl-7-hydroxy-1-methyl-8-methylengibban-1,10-dicarboxylat [German] [ACD/IUPAC Name]
Gibbane-1,10-dicarboxylic acid, 4a-formyl-7-hydroxy-1-methyl-8-methylene-, ion(2-), (1α,4aα,4bβ,10β)- [ACD/Index Name]
(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate
(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate; 4a-formyl-7α-hydroxy-1-methyl-8-methylidene-4aα,4bβ-gibbane
(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylate; 4a-formyl-7α-hydroxy-1-methyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylate
-1α,10β-dicarboxylate
4a-formyl-7α-hydroxy-1-methyl-8-methylidene-4aα,4bβ-gibbane-1α,10β-dicarboxylate
GA19
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 302.3±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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