ChemSpider 2D Image | (3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-{(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3,8-Dihydroxy-4,6-dimethyl-6-octen-2-yl]-5-hydroxy-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl}-15-hydroxy-3-me thoxy-14-methyl-4,6,8,10,12-heptadecapentaenoic acid | C41H66O10

(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-{(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3,8-Dihydroxy-4,6-dimethyl-6-octen-2-yl]-5-hydroxy-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl}-15-hydroxy-3-me thoxy-14-methyl-4,6,8,10,12-heptadecapentaenoic acid

  • Molecular FormulaC41H66O10
  • Average mass718.957 Da
  • Monoisotopic mass718.465576 Da
  • ChemSpider ID78436261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-{(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3,8-Dihydroxy-4,6-dimethyl-6-octen-2-yl]-5-hydroxy-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl}-15-hydroxy-3-me thoxy-14-methyl-4,6,8,10,12-heptadecapentaenoic acid [ACD/IUPAC Name]
(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-{(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3,8-Dihydroxy-4,6-dimethyl-6-octen-2-yl]-5-hydroxy-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl}-15-hydroxy-3-me thoxy-14-methyl-4,6,8,10,12-heptadecapentaensäure [German] [ACD/IUPAC Name]
Acide (3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-{(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3,8-dihydroxy-4,6-diméthyl-6-octén-2-yl]-5-hydroxy-10-méthoxy-3,9-diméthyl-1,7-dioxaspiro[5.5]undéc-2-yl}-15-hydrox y-3-méthoxy-14-méthyl-4,6,8,10,12-heptadécapentaénoïque [French] [ACD/IUPAC Name]
Spirangien G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.2±6.0 kJ/mol
Flash Point: 247.1±27.8 °C
Index of Refraction: 1.549
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 106.75
ACD/KOC (pH 5.5): 370.19
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 6.85
Polar Surface Area: 155 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 633.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement