ChemSpider 2D Image | ANDIROBIN | C27H32O7

ANDIROBIN

  • Molecular FormulaC27H32O7
  • Average mass468.539 Da
  • Monoisotopic mass468.214813 Da
  • ChemSpider ID30810343

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

{(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(3-Furyl)-4a-méthyl-8-méthylène-2-oxooctahydrooxiréno[d]isochromén-7-yl]-2,6,6-triméthyl-5-oxo-3-cyclohexén-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
3-Cyclohexene-1-acetic acid, 2-[(1aS,4S,4aS,7R,8aS)-4-(3-furanyl)octahydro-4a-methyl-8-methylene-2-oxooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, (1R,2R)- [ACD/Index Name]
6488-63-7 [RN]
ANDIROBIN
Methyl {(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(3-furyl)-4a-methyl-8-methylene-2-oxooctahydrooxireno[d]isochromen-7-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl}acetate [ACD/IUPAC Name]
Methyl-{(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(3-furyl)-4a-methyl-8-methylen-2-oxooctahydrooxireno[d]isochromen-7-yl]-2,6,6-trimethyl-5-oxo-3-cyclohexen-1-yl}acetat [German] [ACD/IUPAC 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: 591.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.87
ACD/KOC (pH 5.5): 1219.76
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.87
ACD/KOC (pH 7.4): 1219.76
Polar Surface Area: 95 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

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