Found 4 results

Search term: MF = 'C_{46}H_{60}O_{7}'
ChemSpider 2D Image | MFCD02331184 | C46H60O7

MFCD02331184

  • Molecular FormulaC46H60O7
  • Average mass724.964 Da
  • Monoisotopic mass724.433899 Da
  • ChemSpider ID21815116

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl {[3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-{[3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetat [German] [ACD/IUPAC Name]
{[3-(3-Méthoxyphénoxy)-2-méthyl-4-oxo-4H-chromén-7-yl]oxy}acétate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[3-(3-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
MFCD02331184
(1S,5S,10S,11S,2R,14R,15R)-14-(1,5-dimethylhexyl)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl 2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yloxy]acetate
[3-(3-Methoxy-phenoxy)-2-methyl-4-oxo-4H-chromen-7-yloxy]-acetic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
CHOLEST-5-EN-3-YL ((3-(3-METHOXYPHENOXY)-2-ME-4-OXO-4H-CHROMEN-7-YL)OXY)ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 300.7±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 14.13
ACD/LogD (pH 5.5): 11.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 80 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 619.0±5.0 cm3

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