ChemSpider 2D Image | (6S)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptanone (non-preferred name) | C26H42O2

(6S)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptanone (non-preferred name)

  • Molecular FormulaC26H42O2
  • Average mass386.611 Da
  • Monoisotopic mass386.318481 Da
  • ChemSpider ID77498938

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(6S)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptanon (non-preferred name) [German] [ACD/IUPAC Name]
(6S)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptanone (non-preferred name) [ACD/IUPAC Name]
(6S)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2-heptanone (non-preferred name) [French] [ACD/IUPAC Name]
7494-34-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 212.1±15.2 °C
Index of Refraction: 1.534
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23476.33
ACD/KOC (pH 5.5): 46782.41
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23476.33
ACD/KOC (pH 7.4): 46782.41
Polar Surface Area: 37 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 371.5±5.0 cm3

Click to predict properties on the Chemicalize site


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