ChemSpider 2D Image | 6?-hydroxyeplerenone | C24H30O7

6?-hydroxyeplerenone

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID32819494

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

209253-80-5 [RN]
6?-hydroxyeplerenone
6β-Hydroxy Eplerenone
6β-Hydroxy Eplerenone
Methyl (4aS,4bR,5aR,6aS,7R,9aS,9bR,10S,11R)-11-hydroxy-4a,6a-dimethyl-2,5'-dioxo-2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7,2'-furan]-1 0-carboxylate [ACD/IUPAC Name]
Spiro[cyclopenta[7,8]phenanthro[4b,5-b]oxirene-7(3H),2'(3'H)-furan]-10-carboxylic acid, 2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-11-hydroxy-4a,6a-dimethyl-2,5'-dioxo-, methyl ester, (4aS,4b R,5aR,6aS,7R,9aS,9bR,10S,11R)- [ACD/Index Name]
6??-hydroxy Eplerenone
6-B-HYDROXY EPLERENONE
6-β-HYDROXY EPLERENONE
6β-Hydroxyeplerenone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

V941WT74X6 [DBID]
UNII:V941WT74X6 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.7±6.0 kJ/mol
Flash Point: 222.4±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.08
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 80.08
Polar Surface Area: 102 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 313.5±5.0 cm3

Click to predict properties on the Chemicalize site


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