ChemSpider 2D Image | Methyl [(1S,6R,7R,11S,15R,18R)-14,18-diacetoxy-6-(3-furyl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.0~1,10~.0~2,7~.0~11,16~]octadec-2-en-12-yl]acetate | C31H38O11

Methyl [(1S,6R,7R,11S,15R,18R)-14,18-diacetoxy-6-(3-furyl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetate

  • Molecular FormulaC31H38O11
  • Average mass586.627 Da
  • Monoisotopic mass586.241394 Da
  • ChemSpider ID21111710
  • defined stereocentres - 7 of 10 defined stereocentres


More details:






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

[(1S,6R,7R,11S,15R,18R)-14,18-Diacétoxy-6-(3-furyl)-16-hydroxy-7,11,13,13-tétraméthyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadéc-2-én-12-yl]acétate de méthyle [French] [ACD/IUPAC Name]
4H-10,11a-Methano-2H-benzofuro[2,3-f][2]benzopyran-7-acetic acid, 9,12-bis(acetyloxy)-4-(3-furanyl)-4a,5,6,6a,6b,7,8,9,10,10a-decahydro-10a-hydroxy-4a,6b,8,8-tetramethyl-2-oxo-, methyl ester, (4R,4aR, 6bS,10R,11aS,12R)- [ACD/Index Name]
Methyl [(1S,6R,7R,11S,15R,18R)-14,18-diacetoxy-6-(3-furyl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetate [ACD/IUPAC Name]
Methyl-[(1S,6R,7R,11S,15R,18R)-14,18-diacetoxy-6-(3-furyl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetat [German] [ACD/IUPAC Name]
XYLOCARPUS A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.65
ACD/KOC (pH 5.5): 1799.35
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.63
ACD/KOC (pH 7.4): 1799.21
Polar Surface Area: 148 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 431.1±5.0 cm3

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