ChemSpider 2D Image | Methyl (3R,6S,7S,12S,14R,17S,18S,20R)-7-(3-furyl)-14-hydroxy-6,16,16,20-tetramethyl-9,15-dioxo-2,8,19-trioxapentacyclo[15.2.1.0~1,14~.0~3,12~.0~6,11~]icos-10-ene-18-carboxylate | C27H32O9

Methyl (3R,6S,7S,12S,14R,17S,18S,20R)-7-(3-furyl)-14-hydroxy-6,16,16,20-tetramethyl-9,15-dioxo-2,8,19-trioxapentacyclo[15.2.1.01,14.03,12.06,11]icos-10-ene-18-carboxylate

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID30655732

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,6S,7S,12S,14R,17S,18S,20R)-7-(3-Furyl)-14-hydroxy-6,16,16,20-tétraméthyl-9,15-dioxo-2,8,19-trioxapentacyclo[15.2.1.01,14.03,12.06,11]icos-10-ène-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
7a,10-Methano-2H,4H-oxepino[2,3-b]pyrano[4,3-f][1]benzopyran-9-carboxylic acid, 4-(3-furanyl)-4a,5,6,6a,9,10,11,12,12a,13,13a-undecahydro-12a-hydroxy-4a,11,11,14-tetramethyl-2,12-dioxo-, methyl ester, (4S,4aS,6aR,9S,10S,12aR,13aS,14R)- [ACD/Index Name]
Methyl (3R,6S,7S,12S,14R,17S,18S,20R)-7-(3-furyl)-14-hydroxy-6,16,16,20-tetramethyl-9,15-dioxo-2,8,19-trioxapentacyclo[15.2.1.01,14.03,12.06,11]icos-10-ene-18-carboxylate [ACD/IUPAC Name]
Methyl-(3R,6S,7S,12S,14R,17S,18S,20R)-7-(3-furyl)-14-hydroxy-6,16,16,20-tetramethyl-9,15-dioxo-2,8,19-trioxapentacyclo[15.2.1.01,14.03,12.06,11]icos-10-en-18-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.9±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.56
ACD/KOC (pH 5.5): 1248.09
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.55
ACD/KOC (pH 7.4): 1248.08
Polar Surface Area: 122 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 363.8±5.0 cm3

Click to predict properties on the Chemicalize site


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