ChemSpider 2D Image | Methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4aH-naphtho[2,1-f]isochromene-4a-carboxylate | C26H32O9

Methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4aH-naphtho[2,1-f]isochromene-4a-carboxylate

  • Molecular FormulaC26H32O9
  • Average mass488.527 Da
  • Monoisotopic mass488.204620 Da
  • ChemSpider ID22943221

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(4aR,4bR,10aR,12aS)-6,10-Dihydroxy-3,4b,7,7,10a,12a-hexaméthyl-12-méthylène-1,4,5,8-tétraoxo-1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tétradécahydro-4aH-naphto[2,1-f]isochromène-4a-carboxylate de méthyle [French] [ACD/IUPAC Name]
4aH-Phenanthro[2,1-c]pyran-4a-carboxylic acid, 1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (4aR,4bR,10 aR,12aS)- [ACD/Index Name]
Methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4aH-naphtho[2,1-f]isochromene-4a-carboxylate [ACD/IUPAC Name]
Methyl-(4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylen-1,4,5,8-tetraoxo-1,3,4,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4aH-naphtho[2,1-f]isochromen-4a-carboxylat [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: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 227.0±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: 2.82
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.85
ACD/KOC (pH 5.5): 459.86
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 31.87
ACD/KOC (pH 7.4): 397.71
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

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