ChemSpider 2D Image | (2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S)-3-Hydroxy-4,6-dimethyl-6-hepten-2-yl]-2-[(2S,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol | C30H52O6

(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S)-3-Hydroxy-4,6-dimethyl-6-hepten-2-yl]-2-[(2S,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9715509
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S)-3-Hydroxy-4,6-dimethyl-6-hepten-2-yl]-2-[(2S,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol [ACD/IUPAC Name]
(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S)-3-Hydroxy-4,6-dimethyl-6-hepten-2-yl]-2-[(2S,3S,4S,5Z)-3-hydroxy-4-methyl-5,7-octadien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol [German] [ACD/IUPAC Name]
(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S)-3-Hydroxy-4,6-diméthyl-6-heptén-2-yl]-2-[(2S,3S,4S,5Z)-3-hydroxy-4-méthyl-5,7-octadién-2-yl]-10-méthoxy-3,9-diméthyl-1,7-dioxaspiro[5.5]undécan-5-ol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 623.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 330.9±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 145.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7621.98
ACD/KOC (pH 5.5): 20911.01
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7621.98
ACD/KOC (pH 7.4): 20911.01
Polar Surface Area: 88 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 483.1±5.0 cm3

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