ChemSpider 2D Image | [(1S,5S,6R,7S,8S,10S,11S,13R)-13-Acetoxy-10-(benzyloxy)-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12-dioxo-2,4-dioxatetracyclo[12.3.1.0~1,5~.0~6,11~]octadec-14-en-7-yl]methyl acetate | C32H40O11

[(1S,5S,6R,7S,8S,10S,11S,13R)-13-Acetoxy-10-(benzyloxy)-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12-dioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID10140445

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1S,5S,6R,7S,8S,10S,11S,13R)-13-Acetoxy-10-(benzyloxy)-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12-dioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate [ACD/IUPAC Name]
[(1S,5S,6R,7S,8S,10S,11S,13R)-13-Acetoxy-10-(benzyloxy)-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12-dioxo-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl-acetat [German] [ACD/IUPAC Name]
4H-3a,7-Methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-2,9(11H)-dione, 8-(acetyloxy)-13-[(acetyloxy)methyl]-5,8,9a,10,12,13,13a,13b-octahydro-12,13-dihydroxy-6,9a,14,14-tetramethyl-10-(phenylmethoxy)-, (3aS,8R,9aS,10S,12S,13S,13aR,13bS)- [ACD/Index Name]
Acétate de [(1S,5S,6R,7S,8S,10S,11S,13R)-13-acétoxy-10-(benzyloxy)-7,8-dihydroxy-11,15,18,18-tétraméthyl-3,12-dioxo-2,4-dioxatétracyclo[12.3.1.01,5.06,11]octadéc-14-én-7-yl]méthyle [French] [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: 723.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 227.9±26.4 °C
Index of Refraction: 1.588
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3563.37
ACD/KOC (pH 5.5): 12134.34
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3563.34
ACD/KOC (pH 7.4): 12134.22
Polar Surface Area: 155 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 447.3±5.0 cm3

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