Found 1 result

Search term: 78439131 (Found by CSID)
ChemSpider 2D Image | Methyl (4aR,4bR,5aS,6aS,8S,10aS,10bR)-12-hydroxy-1,1,4a,6a,8,10b-hexamethyl-6-methylene-2,7,10,11-tetraoxo-2,3,4,4a,6,6a,7,8,10,10a,10b,11-dodecahydro-1H,5aH-naphtho[1,2-h]oxireno[g]isochromene-8-carb oxylate | C26H30O9

Methyl (4aR,4bR,5aS,6aS,8S,10aS,10bR)-12-hydroxy-1,1,4a,6a,8,10b-hexamethyl-6-methylene-2,7,10,11-tetraoxo-2,3,4,4a,6,6a,7,8,10,10a,10b,11-dodecahydro-1H,5aH-naphtho[1,2-h]oxireno[g]isochromene-8-carb oxylate

  • Molecular FormulaC26H30O9
  • Average mass486.511 Da
  • Monoisotopic mass486.188995 Da
  • ChemSpider ID78439131

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bR,5aS,6aS,8S,10aS,10bR)-12-Hydroxy-1,1,4a,6a,8,10b-hexaméthyl-6-méthylène-2,7,10,11-tétraoxo-2,3,4,4a,6,6a,7,8,10,10a,10b,11-dodécahydro-1H,5aH-naphto[1,2-h]oxiréno[g]isochromène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H,8H-Oxireno[4,4a]phenanthro[1,2-c]pyran-8-carboxylic acid, 2,3,4,4a,5a,6,6a,7,10,10a,10b,11-dodecahydro-12-hydroxy-1,1,4a,6a,8,10b-hexamethyl-6-methylene-2,7,10,11-tetraoxo-, methyl ester, (4aR,4bR, 5aS,6aS,8S,10aS,10bR)- [ACD/Index Name]
Methyl (4aR,4bR,5aS,6aS,8S,10aS,10bR)-12-hydroxy-1,1,4a,6a,8,10b-hexamethyl-6-methylene-2,7,10,11-tetraoxo-2,3,4,4a,6,6a,7,8,10,10a,10b,11-dodecahydro-1H,5aH-naphtho[1,2-h]oxireno[g]isochromene-8-carb oxylate [ACD/IUPAC Name]
Methyl-(4aR,4bR,5aS,6aS,8S,10aS,10bR)-12-hydroxy-1,1,4a,6a,8,10b-hexamethyl-6-methylen-2,7,10,11-tetraoxo-2,3,4,4a,6,6a,7,8,10,10a,10b,11-dodecahydro-1H,5aH-naphtho[1,2-h]oxireno[g]isochromen-8-carbox ylat [German] [ACD/IUPAC Name]
Asperterpene D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 673.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 226.6±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.34
ACD/KOC (pH 5.5): 730.39
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 60.06
ACD/KOC (pH 7.4): 623.62
Polar Surface Area: 137 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 352.1±5.0 cm3

Click to predict properties on the Chemicalize site


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