ChemSpider 2D Image | (2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-3,7,11,15-tetraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) | C25H32O6

(2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-3,7,11,15-tetraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)

  • Molecular FormulaC25H32O6
  • Average mass428.518 Da
  • Monoisotopic mass428.219879 Da
  • ChemSpider ID59000843

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-3,7,11,15-tetraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-3,7,11,15-tetraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentaméthyl-3,7,11,15-tétraoxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Ganodernoid A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 335.2±28.0 °C
Index of Refraction: 1.565
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 35.74
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 341.5±5.0 cm3

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