ChemSpider 2D Image | Methyl [(1S,2R,5R,6R,12S,14S,15S,17R,18S)-14-acetoxy-12-ethoxy-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~]octadec-10-en-18-yl]acetate | C31H38O10

Methyl [(1S,2R,5R,6R,12S,14S,15S,17R,18S)-14-acetoxy-12-ethoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-10-en-18-yl]acetate

  • Molecular FormulaC31H38O10
  • Average mass570.627 Da
  • Monoisotopic mass570.246521 Da
  • ChemSpider ID35517153

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(1S,2R,5R,6R,12S,14S,15S,17R,18S)-14-Acétoxy-12-éthoxy-6-(3-furyl)-17-hydroxy-1,5,15-triméthyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadéc-10-én-18-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,9-Methanofluoreno[3,4-c]pyran-12-acetic acid, 10-(acetyloxy)-11a-ethoxy-4-(3-furanyl)-1,2,4,4a,5,6,6a,7,7a,8,9,10,11,11a-tetradecahydro-7a-hydroxy-4a,7,9-trimethyl-2,11-dioxo-, methyl ester, (4R,4aR ,6aR,7S,7aR,9S,10S,11aS,12S)- [ACD/Index Name]
Methyl [(1S,2R,5R,6R,12S,14S,15S,17R,18S)-14-acetoxy-12-ethoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-10-en-18-yl]acetate [ACD/IUPAC Name]
Methyl-[(1S,2R,5R,6R,12S,14S,15S,17R,18S)-14-acetoxy-12-ethoxy-6-(3-furyl)-17-hydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.012,17]octadec-10-en-18-yl]acetat [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: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.5±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.61
ACD/KOC (pH 5.5): 1068.77
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.61
ACD/KOC (pH 7.4): 1068.76
Polar Surface Area: 139 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 423.8±5.0 cm3

Click to predict properties on the Chemicalize site


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