ChemSpider 2D Image | (1alpha,4aalpha,4bbeta,10beta)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate | C20H27O3

(1α,4aα,4bβ,10β)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate

  • Molecular FormulaC20H27O3
  • Average mass315.427 Da
  • Monoisotopic mass315.196564 Da
  • ChemSpider ID26330784
  • 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)-10-Formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylate [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-10-Formyl-1,4a-diméthyl-8-méthylènegibbane-1-carboxylate [French] [ACD/IUPAC Name]
(1α,4aα,4bβ,10β)-10-Formyl-1,4a-dimethyl-8-methylengibban-1-carboxylat [German] [ACD/IUPAC Name]
Gibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, ion(1-), (1α,4aα,4bβ,10β)- [ACD/Index Name]
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylate
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylate; 10β-formyl-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α-carbo
(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylate; 10β-formyl-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α-carboxylate
10β-formyl-1β,4a-dimethyl-8-methylidene-4aα,4bβ-gibbane-1α-carboxylate
Gibberellin A12 aldehyde
gibberellin A12 aldehyde(1-)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 454.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 242.9±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 62.30
ACD/KOC (pH 5.5): 345.74
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.44
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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