ChemSpider 2D Image | (5S,8R,9S,10S,13S,14S,17S)-4',4',10,13-Tetramethylhexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]oxazolidine]-3',17-diol | C23H39NO3

(5S,8R,9S,10S,13S,14S,17S)-4',4',10,13-Tetramethylhexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]oxazolidine]-3',17-diol

  • Molecular FormulaC23H39NO3
  • Average mass377.561 Da
  • Monoisotopic mass377.292999 Da
  • ChemSpider ID48063674

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5S,8R,9S,10S,13S,14S,17S)-4',4',10,13-Tetramethylhexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]oxazolidine]-3',17-diol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-oxazolidin]-17-ol, hexadecahydro-3'-hydroxy-4',4',10,13-tetramethyl-, (5S,8R,9S,10S,13S,14S,17S)- [ACD/Index Name]
(5S,8R,9S,10S,13S,14S,17S)-3'-λ1-oxidanyl-4',4',10,13-tetramethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]-17-ol
25521-33-9 [RN]
3-DOXYLANDROSTANOL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.1±28.2 °C
Index of Refraction: 1.574
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.11
ACD/KOC (pH 5.5): 2505.55
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.12
ACD/KOC (pH 7.4): 2518.37
Polar Surface Area: 53 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 324.1±5.0 cm3

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