ChemSpider 2D Image | Ethyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate | C25H32O5

Ethyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate

  • Molecular FormulaC25H32O5
  • Average mass412.519 Da
  • Monoisotopic mass412.224976 Da
  • ChemSpider ID21161562

More details:

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

258-829-0 [EINECS]
53866-20-9 [RN]
Ethyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-4'-carboxylate [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-4'-carboxylic acid, 1,2,3,4',5',8,9,10,11,12,13,14,15,16-tetradecahydro-10,13-dimethyl-3,5'-dioxo-, ethyl ester [ACD/Index Name]
ethyl 3-oxopregna-4,6-diene-21,17α-carbolactone-21-carboxylate
ETHYL(8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-3,5'-DIOXO-1,2,3,4',5',8,9,10,11,12,13,14,15,16-TETRADECAHYDRO-3'H-SPIRO[CYCLOPENTA[A]PHENANTHRENE-17,2'-FURAN]-4'-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 254.9±30.2 °C
Index of Refraction: 1.571
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.77
ACD/KOC (pH 5.5): 681.30
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.77
ACD/KOC (pH 7.4): 681.30
Polar Surface Area: 70 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 337.5±5.0 cm3

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