ChemSpider 2D Image | (13alpha,14beta,17alpha,20S,24S)-24-Hydroxy-21,21,25-trimethoxylanost-7-ene-3,23-dione | C33H54O6

(13α,14β,17α,20S,24S)-24-Hydroxy-21,21,25-trimethoxylanost-7-ene-3,23-dione

  • Molecular FormulaC33H54O6
  • Average mass546.778 Da
  • Monoisotopic mass546.392029 Da
  • ChemSpider ID62782053

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(13α,14β,17α,20S,24S)-24-Hydroxy-21,21,25-trimethoxylanost-7-en-3,23-dion [German] [ACD/IUPAC Name]
(13α,14β,17α,20S,24S)-24-Hydroxy-21,21,25-trimethoxylanost-7-ene-3,23-dione [ACD/IUPAC Name]
(13α,14β,17α,20S,24S)-24-Hydroxy-21,21,25-triméthoxylanost-7-ène-3,23-dione [French] [ACD/IUPAC Name]
Lanost-7-ene-3,23-dione, 24-hydroxy-21,21,25-trimethoxy-, (13α,14β,17α,20S,24S)- [ACD/Index Name]
(5R,9R,10R,13S,14S,17S)-17-[(2S,5S)-5-hydroxy-1,1,6-trimethoxy-6-methyl-4-oxoheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
1318173-53-3 [RN]
aphagranin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 184.2±25.0 °C
Index of Refraction: 1.525
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36862.89
ACD/KOC (pH 5.5): 64617.18
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36862.81
ACD/KOC (pH 7.4): 64617.04
Polar Surface Area: 82 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 500.2±5.0 cm3

Click to predict properties on the Chemicalize site


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