ChemSpider 2D Image | (1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-6-isopropyl-2,9-dimethyltricyclo[8.4.0.0~5,14~]tetradec-11-ene-1,13-diol | C20H34O3

(1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-6-isopropyl-2,9-dimethyltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID21246780
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-6-isopropyl-2,9-dimethyltricyclo[8.4.0.05,14]tetradec-11-en-1,13-diol [German] [ACD/IUPAC Name]
(1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-6-isopropyl-2,9-dimethyltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol [ACD/IUPAC Name]
(1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxyméthyl)-6-isopropyl-2,9-diméthyltricyclo[8.4.0.05,14]tétradéc-11-ène-1,13-diol [French] [ACD/IUPAC Name]
1,5-Butanonaphthalene-4,8a(1H)-diol, 4,4a,5,6,7,8-hexahydro-3-(hydroxymethyl)-8,12-dimethyl-9-(1-methylethyl)-, (1R,4S,4aS,5S,8R,8aS,9S,12S)- [ACD/Index Name]
111025-83-3 [RN]
Vinigrol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 209.7±23.3 °C
Index of Refraction: 1.529
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 896.08
ACD/KOC (pH 5.5): 4517.42
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 896.08
ACD/KOC (pH 7.4): 4517.42
Polar Surface Area: 61 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

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