ChemSpider 2D Image | (4S,6S,7S,8S,10S,13R,17R)-7,16-Dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.1~4,8~]octadec-1(16)-ene-11,15-dione | C22H34O6

(4S,6S,7S,8S,10S,13R,17R)-7,16-Dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,8]octadec-1(16)-ene-11,15-dione

  • Molecular FormulaC22H34O6
  • Average mass394.502 Da
  • Monoisotopic mass394.235535 Da
  • ChemSpider ID35516889

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4S,6S,7S,8S,10S,13R,17R)-7,16-Dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,8]octadec-1(16)-en-11,15-dion [German] [ACD/IUPAC Name]
(4S,6S,7S,8S,10S,13R,17R)-7,16-Dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,8]octadec-1(16)-ene-11,15-dione [ACD/IUPAC Name]
(4S,6S,7S,8S,10S,13R,17R)-7,16-Dihydroxy-4,6,10-triméthyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,8]octadéc-1(16)-ène-11,15-dione [French] [ACD/IUPAC Name]
14,18-Dioxatricyclo[11.2.2.14,8]octadec-1(16)-ene-11,15-dione, 7,16-dihydroxy-4,6,10-trimethyl-17-propyl-, (4S,6S,7S,8S,10S,13R,17R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 199.5±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.42
ACD/KOC (pH 5.5): 50.63
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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