ChemSpider 2D Image | (7E)-12-Ethyl-1-hydroxy-8,10-dimethyl-5-[(6E)-3,9,11-trihydroxy-4,6,8,10-tetramethyl-6-tridecen-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione (non-preferred name) | C32H54O8

(7E)-12-Ethyl-1-hydroxy-8,10-dimethyl-5-[(6E)-3,9,11-trihydroxy-4,6,8,10-tetramethyl-6-tridecen-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione (non-preferred name)

  • Molecular FormulaC32H54O8
  • Average mass566.766 Da
  • Monoisotopic mass566.381897 Da
  • ChemSpider ID78444379

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-12-Ethyl-1-hydroxy-8,10-dimethyl-5-[(6E)-3,9,11-trihydroxy-4,6,8,10-tetramethyl-6-tridecen-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-en-3,11-dion (non-preferred name) [German] [ACD/IUPAC Name]
(7E)-12-Ethyl-1-hydroxy-8,10-dimethyl-5-[(6E)-3,9,11-trihydroxy-4,6,8,10-tetramethyl-6-tridecen-2-yl]-4,13-dioxabicyclo[8.2.1]tridec-7-ene-3,11-dione (non-preferred name) [ACD/IUPAC Name]
(7E)-12-Éthyl-1-hydroxy-8,10-diméthyl-5-[(6E)-3,9,11-trihydroxy-4,6,8,10-tétraméthyl-6-tridécén-2-yl]-4,13-dioxabicyclo[8.2.1]tridéc-7-ène-3,11-dione (non-preferred name) [French] [ACD/IUPAC Name]
Actinoallolide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 724.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 222.9±26.4 °C
Index of Refraction: 1.516
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.63
ACD/KOC (pH 5.5): 3258.07
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 567.53
ACD/KOC (pH 7.4): 3257.53
Polar Surface Area: 134 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 513.5±3.0 cm3

Click to predict properties on the Chemicalize site


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