Found 57 results

Search term: MF = 'C_{26}H_{46}O_{4}'
ChemSpider 2D Image | (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-methoxy-2-hexanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol | C26H46O4

(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-methoxy-2-hexanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

  • Molecular FormulaC26H46O4
  • Average mass422.641 Da
  • Monoisotopic mass422.339600 Da
  • ChemSpider ID28526873

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-methoxy-2-hexanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3,6-diol [German] [ACD/IUPAC Name]
(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-methoxy-2-hexanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol [ACD/IUPAC Name]
(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-6-méthoxy-2-hexanyl]-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrène-3,6-diol [French] [ACD/IUPAC 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: 542.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.8±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 413.16
ACD/KOC (pH 5.5): 2595.50
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 413.16
ACD/KOC (pH 7.4): 2595.50
Polar Surface Area: 70 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

Click to predict properties on the Chemicalize site


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