ChemSpider 2D Image | (17Z)-16-Acetoxy-6-(hexanoyloxy)-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid | C37H60O8

(17Z)-16-Acetoxy-6-(hexanoyloxy)-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID9654007

  • Double-bond stereo - Double-bond stereo

More details:

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

(17Z)-16-Acetoxy-6-(hexanoyloxy)-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-oic acid [ACD/IUPAC Name]
(17Z)-16-Acetoxy-6-(hexanoyloxy)-3,7-dihydroxy-4,8,14-trimethyl-18-norcholest-17-en-21-säure [German] [ACD/IUPAC Name]
Acide (17Z)-16-acétoxy-6-(hexanoyloxy)-3,7-dihydroxy-4,8,14-triméthyl-18-norcholest-17-én-21-oïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[(17Z)-16-(acetyloxy)-3,7-dihydroxy-4,8,10,14-tetramethyl-6-[(1-oxohexyl)oxy]gonan-17-ylidene]-6-methyl-, (2Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 205.1±25.0 °C
Index of Refraction: 1.541
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 19069.41
ACD/KOC (pH 5.5): 15788.29
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 339.70
ACD/KOC (pH 7.4): 281.25
Polar Surface Area: 130 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 550.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement