ChemSpider 2D Image | (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11-hydroxy-2',2'-dimethoxy-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 | C25H33FO7

(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11-hydroxy-2',2'-dimethoxy-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 FormulaC25H33FO7
  • Average mass464.524 Da
  • Monoisotopic mass464.221039 Da
  • ChemSpider ID103883975

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11-hydroxy-2',2'-dimethoxy-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]
26015-27-0 [RN]
Spiro[17H-cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6H)-dione, 9-fluoro-7,8,9,10,11,12,13,14,15,16-decahydro-11-hydroxy-2',2'-dimethoxy-10,13,16-trimethyl-, (8S,9R,10S,11S,13S,14S,16R,17R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.92
ACD/KOC (pH 5.5): 1207.91
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.92
ACD/KOC (pH 7.4): 1207.91
Polar Surface Area: 91 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 355.6±5.0 cm3

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