ChemSpider 2D Image | (3S,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2S)-1-hydroxy-2-propanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (non-preferr ed name) | C25H40O5

(3S,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2S)-1-hydroxy-2-propanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (non-preferr ed name)

  • Molecular FormulaC25H40O5
  • Average mass420.582 Da
  • Monoisotopic mass420.287567 Da
  • ChemSpider ID78441052

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3S,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2S)-1-hydroxy-2-propanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-on (non-preferre d name) [German] [ACD/IUPAC Name]
(3S,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2S)-1-hydroxy-2-propanyl]-4,4,10,13,14-pentamethyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one (non-preferr ed name) [ACD/IUPAC Name]
(3S,7S,10S,13R,14R,15S,17R)-3,7,15-Trihydroxy-17-[(2S)-1-hydroxy-2-propanyl]-4,4,10,13,14-pentaméthyl-1,2,3,4,5,6,7,10,12,13,14,15,16,17-tétradécahydro-11H-cyclopenta[a]phénanthrén-11-one (non-preferr ed name) [French] [ACD/IUPAC Name]
Ganosineniol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 322.3±26.6 °C
Index of Refraction: 1.577
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 26.05
ACD/KOC (pH 5.5): 358.93
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 26.05
ACD/KOC (pH 7.4): 358.93
Polar Surface Area: 98 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 347.9±5.0 cm3

Click to predict properties on the Chemicalize site


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