ChemSpider 2D Image | bisglaucumlide H | C41H60O9

bisglaucumlide H

  • Molecular FormulaC41H60O9
  • Average mass696.910 Da
  • Monoisotopic mass696.423706 Da
  • ChemSpider ID27024245

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2S,3S,8S,10Z,14Z,18S,21S,22S,23E,27S)-2,3,27-Trihydroxy-18-isopropyl-2,6,11,15,24,28-hexaméthyl-9,16,19-trioxo-31-oxatétracyclo[26.2.1.05,22.08,21]héntriaconta-5,10,14,23-tétraène-21-carboxyla te de méthyle [French] [ACD/IUPAC Name]
6,9-Epoxybenzo[1,2-a:3,4-a']dicyclotetradecene-26a(4H)-carboxylic acid, 3,5,6,7,8,9,10,11,12,14,14a,15,18,19,22,23,24,25,26,26b-eicosahydro-5,10,11-trihydroxy-2,6,10,13,17,21-hexamethyl-24-(1-methylet hyl)-15,22,25-trioxo-, methyl ester, (1E,5S,9R,10S,11S,14aS,16Z,20Z,24S,26aS,26bS)- [ACD/Index Name]
bisglaucumlide H
Methyl (1R,2S,3S,8S,10Z,14Z,18S,21S,22S,23E,27S)-2,3,27-trihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-ca rboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,3S,8S,10Z,14Z,18S,21S,22S,23E,27S)-2,3,27-trihydroxy-18-isopropyl-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraen-21-car boxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 812.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.5±6.0 kJ/mol
Flash Point: 239.5±27.8 °C
Index of Refraction: 1.560
Molar Refractivity: 190.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10897.53
ACD/KOC (pH 5.5): 27009.00
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10897.52
ACD/KOC (pH 7.4): 27008.97
Polar Surface Area: 147 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 589.5±5.0 cm3

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