Found 12 results

Search term: MF = 'C_{38}H_{54}O_{7}'
ChemSpider 2D Image | 3-Methoxyphenyl (3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16beta,17Z)-16-acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oate | C38H54O7

3-Methoxyphenyl (3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oate

  • Molecular FormulaC38H54O7
  • Average mass622.831 Da
  • Monoisotopic mass622.386963 Da
  • ChemSpider ID76793823

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-Acétoxy-3,11-dihydroxy-4,8,14-triméthyl-18-norcholesta-17,24-dién-21-oate de 3-méthoxyphényle [French] [ACD/IUPAC Name]
3-Methoxyphenyl (3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oate [ACD/IUPAC Name]
3-Methoxyphenyl-(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-acetoxy-3,11-dihydroxy-4,8,14-trimethyl-18-norcholesta-17,24-dien-21-oat [German] [ACD/IUPAC Name]
5-Heptenoic acid, 2-[(3α,4α,5α,8α,9β,11α,13α,14β,16β,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methyl-, 3-methoxyphenyl ester, (2Z)- [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: 704.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 209.9±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 347558.59
ACD/KOC (pH 5.5): 321989.06
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 347558.59
ACD/KOC (pH 7.4): 321989.06
Polar Surface Area: 102 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 531.8±5.0 cm3

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