ChemSpider 2D Image | (13alpha,14beta,17alpha,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-one | C30H46O4

(13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-one

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID24702511

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-on [German] [ACD/IUPAC Name]
(13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diepoxylanost-7-en-3-one [ACD/IUPAC Name]
(13α,14β,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-diépoxylanost-7-én-3-one [French] [ACD/IUPAC Name]
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
6553-27-1 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486466/
MELIANONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 175.0±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4449.27
ACD/KOC (pH 5.5): 14224.55
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4449.26
ACD/KOC (pH 7.4): 14224.52
Polar Surface Area: 59 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

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