ChemSpider 2D Image | (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6,10-dodecadien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13
,15-tetraen-2-one | C38H60O9

(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6,10-dodecadien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13 ,15-tetraen-2-one

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID8071637
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6,10-dodecadien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13 ,15-tetraen-2-on [German] [ACD/IUPAC Name]
(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6,10-dodecadien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13 ,15-tetraen-2-one [ACD/IUPAC Name]
(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S,6E,8S,9R,10E)-3,9-Dihydroxy-4,8-diméthyl-5-oxo-6,10-dodécadién-2-yl]-8,10-dihydroxy-3,17-diméthoxy-5,7,9,11,13-pentaméthyloxacyclooctadéca-3,5,13 ,15-tétraén-2-one [French] [ACD/IUPAC Name]
Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S,5E,7S,8R,9E)-2,8-dihydroxy-1,3,7-trimethyl-4-oxo-5,9-undecadien-1-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-, (3Z,5E,7R,8R,9S,10 S,11R,13E,15E,17S,18R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 816.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.1±6.0 kJ/mol
Flash Point: 242.3±27.8 °C
Index of Refraction: 1.536
Molar Refractivity: 186.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2061.53
ACD/KOC (pH 5.5): 8201.52
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2061.53
ACD/KOC (pH 7.4): 8201.51
Polar Surface Area: 143 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 596.3±5.0 cm3

Click to predict properties on the Chemicalize site






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