ChemSpider 2D Image | (3E,7E,9S,10R,12R,15E,17S,19S,22R,23S,24R,26R)-9,19,22,23-Tetrahydroxy-26-(hydroxymethyl)-10-methoxy-3,12,16,17,24-pentamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione | C33H54O9

(3E,7E,9S,10R,12R,15E,17S,19S,22R,23S,24R,26R)-9,19,22,23-Tetrahydroxy-26-(hydroxymethyl)-10-methoxy-3,12,16,17,24-pentamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID9061757
  • 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

(3E,7E,9S,10R,12R,15E,17S,19S,22R,23S,24R,26R)-9,19,22,23-Tetrahydroxy-26-(hydroxymethyl)-10-methoxy-3,12,16,17,24-pentamethyl-14-methyleneoxacyclohexacosa-3,7,15-triene-2,21-dione [ACD/IUPAC Name]
(3E,7E,9S,10R,12R,15E,17S,19S,22R,23S,24R,26R)-9,19,22,23-Tétrahydroxy-26-(hydroxyméthyl)-10-méthoxy-3,12,16,17,24-pentaméthyl-14-méthylèneoxacyclohexacosa-3,7,15-triène-2,21-dione [French] [ACD/IUPAC Name]
(3E,7E,9S,10R,12R,15E,17S,19S,22R,23S,24R,26R)-9,19,22,23-Tetrahydroxy-26-(hydroxymethyl)-10-methoxy-3,12,16,17,24-pentamethyl-14-methylenoxacyclohexacosa-3,7,15-trien-2,21-dion [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 772.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 236.7±26.4 °C
Index of Refraction: 1.538
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.77
ACD/KOC (pH 5.5): 1487.16
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.76
ACD/KOC (pH 7.4): 1487.15
Polar Surface Area: 154 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 520.9±5.0 cm3

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