ChemSpider 2D Image | Methyl [(5R,6R,13R,16S)-14-acetoxy-6-(3-furyl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-11-en-16-yl]acetate | C29H36O9

Methyl [(5R,6R,13R,16S)-14-acetoxy-6-(3-furyl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetate

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID5257079
  • defined stereocentres - 4 of 8 defined stereocentres


More details:






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

[(5R,6R,13R,16S)-14-Acétoxy-6-(3-furyl)-13-hydroxy-1,5,15,15-tétraméthyl-8,17-dioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-11-én-16-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR ,8S,11R)- [ACD/Index Name]
Methyl [(5R,6R,13R,16S)-14-acetoxy-6-(3-furyl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetate [ACD/IUPAC Name]
Methyl-[(5R,6R,13R,16S)-14-acetoxy-6-(3-furyl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetat [German] [ACD/IUPAC Name]
HUMILIN A

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

SDCCGMLS-0066320.P001 [DBID]
  • Miscellaneous

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.50
ACD/KOC (pH 5.5): 1035.84
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.47
ACD/KOC (pH 7.4): 1035.61
Polar Surface Area: 129 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 404.9±5.0 cm3

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