ChemSpider 2D Image | Methyl [(1S,5R,6R,12R,14S,15S,17S,18S)-14-acetoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.0~2,11~.0~5,10~.0~12,17~]octadeca-2(11),9-dien-18-yl]acetate | C29H32O9

Methyl [(1S,5R,6R,12R,14S,15S,17S,18S)-14-acetoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadeca-2(11),9-dien-18-yl]acetate

  • Molecular FormulaC29H32O9
  • Average mass524.559 Da
  • Monoisotopic mass524.204651 Da
  • ChemSpider ID40256924

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1S,5R,6R,12R,14S,15S,17S,18S)-14-Acétoxy-6-(3-furyl)-17-hydroxy-1,5,15-triméthyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadéca-2(11),9-dién-18-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,9-Methanofluoreno[3,4-c]pyran-12-acetic acid, 10-(acetyloxy)-4-(3-furanyl)-2,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-7a-hydroxy-4a,7,9-trimethyl-2,11-dioxo-, methyl ester, (4R,4aR,7S,7aS,9S,10S,11aR ,12S)- [ACD/Index Name]
Methyl [(1S,5R,6R,12R,14S,15S,17S,18S)-14-acetoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadeca-2(11),9-dien-18-yl]acetate [ACD/IUPAC Name]
Methyl-[(1S,5R,6R,12R,14S,15S,17S,18S)-14-acetoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadeca-2(11),9-dien-18-yl]acetat [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: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.48
ACD/KOC (pH 5.5): 768.72
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.48
ACD/KOC (pH 7.4): 768.72
Polar Surface Area: 129 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

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