ChemSpider 2D Image | dolabelide D | C39H68O11

dolabelide D

  • Molecular FormulaC39H68O11
  • Average mass712.951 Da
  • Monoisotopic mass712.476135 Da
  • ChemSpider ID8708252

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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(3S,4S,5R,8S,10R,12S,15E,20R,22S,23S,24R)-24-[(1E,4R)-4-Acetoxy-2-methyl-1-hepten-1-yl]-4,8,12,20,22-pentahydroxy-3,5,15,23-tetramethyl-2-oxooxacyclotetracos-15-en-10-yl acetate [ACD/IUPAC Name]
(3S,4S,5R,8S,10R,12S,15E,20R,22S,23S,24R)-24-[(1E,4R)-4-Acetoxy-2-methyl-1-hepten-1-yl]-4,8,12,20,22-pentahydroxy-3,5,15,23-tetramethyl-2-oxooxacyclotetracos-15-en-10-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,4S,5R,8S,10R,12S,15E,20R,22S,23S,24R)-24-[(1E,4R)-4-acétoxy-2-méthyl-1-heptén-1-yl]-4,8,12,20,22-pentahydroxy-3,5,15,23-tétraméthyl-2-oxooxacyclotétracos-15-én-10-yle [French] [ACD/IUPAC Name]
dolabelide D
Oxacyclotetracos-15-en-2-one, 10-(acetyloxy)-24-[(1E,4R)-4-(acetyloxy)-2-methyl-1-hepten-1-yl]-4,8,12,20,22-pentahydroxy-3,5,15,23-tetramethyl-, (3S,4S,5R,8S,10R,12S,15E,20R,22S,23S,24R)- [ACD/Index Name]
(3S,4S,5R,8S,10R,12S,15E,20R,22S,23S,24R)-24-[(1E,4R)-4-(acetyloxy)-2-methylhept-1-en-1-yl]-4,8,12,20,22-pentahydroxy-3,5,15,23-tetramethyl-2-oxooxacyclotetracos-15-en-10-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 813.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.6±6.0 kJ/mol
Flash Point: 235.3±27.8 °C
Index of Refraction: 1.522
Molar Refractivity: 193.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4059.41
ACD/KOC (pH 5.5): 13320.83
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4059.41
ACD/KOC (pH 7.4): 13320.83
Polar Surface Area: 180 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 632.4±5.0 cm3

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