ChemSpider 2D Image | Asbestinin 7 | C30H48O7

Asbestinin 7

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID10318050

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1S,2S,3R,4R,5R,7S,8R,11S,12R,17S)-12-Acetoxy-5,8,11-trimethyl-15-methylen-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-4-yl-2-hydroxyoctanoat [German] [ACD/IUPAC Name]
(1S,2S,3R,4R,5R,7S,8R,11S,12R,17S)-12-Acetoxy-5,8,11-trimethyl-15-methylene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-4-yl 2-hydroxyoctanoate [ACD/IUPAC Name]
2-Hydroxyoctanoate de (1S,2S,3R,4R,5R,7S,8R,11S,12R,17S)-12-acétoxy-5,8,11-triméthyl-15-méthylène-10,18-dioxatétracyclo[9.7.0.02,7.03,17]octadéc-4-yle [French] [ACD/IUPAC Name]
Asbestinin 7
Octanoic acid, 2-hydroxy-, (2S,2aR,3R,4R,5aS,6R,9S,9aS,9bS,10R)-10-(acetyloxy)decahydro-4,6,9-trimethyl-13-methylene-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-yl ester [ACD/Index Name]
asbestinin-7

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 181.4±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29909.86
ACD/KOC (pH 5.5): 55638.10
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29909.79
ACD/KOC (pH 7.4): 55637.98
Polar Surface Area: 91 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 460.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement