ChemSpider 2D Image | klymollin G | C42H70O11

klymollin G

  • Molecular FormulaC42H70O11
  • Average mass750.999 Da
  • Monoisotopic mass750.491821 Da
  • ChemSpider ID27025802

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3S,4S,5S,6R,7R,8R,9R,12S,13S)-4,5,9-Triacetoxy-13-hydroxy-6-isopropyl-9,13-dimethylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-3,2'-oxiran]-12-yl palmitate [ACD/IUPAC Name]
klymollin G
rel-(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-2,3,6-tris(acetyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxiran]-9-yl hexadecanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 207.1±26.4 °C
Index of Refraction: 1.517
Molar Refractivity: 200.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2602747.25
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2602744.25
Polar Surface Area: 147 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 663.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement