ChemSpider 2D Image | (3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-3-Buten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triformate | C26H38O6

(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-3-Buten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triformate

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID21107519

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-3-Buten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3,7,12-triyltriformiat [German] [ACD/IUPAC Name]
(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-3-Buten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triformate [ACD/IUPAC Name]
Triformiate de (3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-3-butén-2-yl]-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrène-3,7,12-triyle [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: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 215.3±30.2 °C
Index of Refraction: 1.528
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2844.00
ACD/KOC (pH 5.5): 10325.67
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2844.00
ACD/KOC (pH 7.4): 10325.67
Polar Surface Area: 79 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 390.3±5.0 cm3

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