ChemSpider 2D Image | klyflaccilin C | C30H48O8

klyflaccilin C

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID103835381

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2R,3R,4S,5R,6S,7S,8R,10Z,14R)-5-Acetoxy-6-hydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadec-10-en-4,14-diyl-dibutanoat [German] [ACD/IUPAC Name]
(1R,2R,3R,4S,5R,6S,7S,8R,10Z,14R)-5-Acetoxy-6-hydroxy-3-isopropyl-6,10,14-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadec-10-ene-4,14-diyl dibutanoate [ACD/IUPAC Name]
Butanoic acid, (1R,2S,3R,4S,4aS,5R,7Z,11R,12R,12aR)-3-(acetyloxy)-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-4-hydroxy-4,7,11-trimethyl-1-(1-methylethyl)-5,12-epoxybenzocyclodecene-2,11-diyl ester [ACD/Index Name]
Dibutanoate de (1R,2R,3R,4S,5R,6S,7S,8R,10Z,14R)-5-acétoxy-6-hydroxy-3-isopropyl-6,10,14-triméthyl-15-oxatricyclo[6.6.1.02,7]pentadéc-10-ène-4,14-diyle [French] [ACD/IUPAC Name]
klyflaccilin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 176.3±23.6 °C
Index of Refraction: 1.517
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 11922.00
ACD/KOC (pH 5.5): 28803.10
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 11921.99
ACD/KOC (pH 7.4): 28803.07
Polar Surface Area: 108 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 473.5±5.0 cm3

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