ChemSpider 2D Image | (8S,10S,11S,13S,14S,16S,17R)-2'-Ethoxy-2'-ethyl-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6H)-dione | C27H37FO6

(8S,10S,11S,13S,14S,16S,17R)-2'-Ethoxy-2'-ethyl-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6H)-dione

  • Molecular FormulaC27H37FO6
  • Average mass476.578 Da
  • Monoisotopic mass476.257416 Da
  • ChemSpider ID68026348

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(8S,10S,11S,13S,14S,16S,17R)-2'-Ethoxy-2'-ethyl-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6H)-dione [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6H)-dione, 2'-ethoxy-2'-ethyl-9-fluoro-7,8,9,10,11,12,13,14,15,16-decahydro-11-hydroxy-10,13,16-trimethyl-, (8S,10S,11S,13S,14S,16S,17R)- [ACD/Index Name]
1062-09-5 [RN]
Betamethasone Cyclic 17,21-(Ethyl Orthopropionate)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.28
ACD/KOC (pH 5.5): 2301.50
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.28
ACD/KOC (pH 7.4): 2301.50
Polar Surface Area: 82 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

Click to predict properties on the Chemicalize site


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