ChemSpider 2D Image | Methyl 6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[1,2-h]isochromene-4a(4H)-carboxylate | C26H32O9

Methyl 6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[1,2-h]isochromene-4a(4H)-carboxylate

  • Molecular FormulaC26H32O9
  • Average mass488.527 Da
  • Monoisotopic mass488.204620 Da
  • ChemSpider ID24624898

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2H-Phenanthro[1,2-c]pyran-4a(4H)-carboxylic acid, 1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodecahydro-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester [ACD/Index Name]
6,10-Dihydroxy-2,4b,7,7,10a,12a-hexaméthyl-12-méthylène-1,4,5,8-tétraoxo-1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodécahydro-2H-naphto[1,2-h]isochromène-4a(4H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[1,2-h]isochromene-4a(4H)-carboxylate [ACD/IUPAC Name]
Methyl-6,10-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylen-1,4,5,8-tetraoxo-1,4b,5,7,8,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[1,2-h]isochromen-4a(4H)-carboxylat [German] [ACD/IUPAC Name]
terretonin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 226.7±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.20
ACD/KOC (pH 5.5): 389.34
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 25.35
ACD/KOC (pH 7.4): 337.93
Polar Surface Area: 144 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement