ChemSpider 2D Image | (1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1-phenanthrenecarboxylic anhydride | C40H58O3

(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1-phenanthrenecarboxylic anhydride

  • Molecular FormulaC40H58O3
  • Average mass586.887 Da
  • Monoisotopic mass586.438599 Da
  • ChemSpider ID23621471
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1-phenanthrencarbonsäureanhydrid [German] [ACD/IUPAC Name]
(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1-phenanthrenecarboxylic anhydride [ACD/IUPAC Name]
(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic anhydride (non-preferred name)
Anhydride (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-diméthyl-1,2,3,4,4a,4b,5,6,10,10a-décahydro-1-phénanthrènecarboxylique [French] [ACD/IUPAC Name]
232-475-7 [EINECS]
ABIETIC ANHYDRIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 671.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 317.6±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.11
ACD/LogD (pH 5.5): 12.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 43 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 545.0±5.0 cm3

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