ChemSpider 2D Image | S-[(7S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate | C24H32O4S

S-[(7S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate

  • Molecular FormulaC24H32O4S
  • Average mass416.573 Da
  • Monoisotopic mass416.202118 Da
  • ChemSpider ID26263150

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Ethanethioic acid, S-[(7S,8R,9S,10R,13S,14S,17R)-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-10,13-dimethyl-3,5'-dioxospiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-7-yl] ester [ACD/Index Name]
S-[(7S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate [ACD/IUPAC Name]
(6S,16S,20S,7R,14R,15R,19R)-14-acetylthio-7,20-dimethylspiro[3,4,5-trihydrofur an-5,14'-tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadecane]-11-ene-2,10-dione
1/7/1952
244290-14-0 [RN]
S-((2'R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate
spironolactone [BAN] [INN] [JAN] [Wiki]

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

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 597.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 302.3±18.1 °C
    Index of Refraction: 1.586
    Molar Refractivity: 112.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 76.20
    ACD/KOC (pH 5.5): 773.94
    ACD/LogD (pH 7.4): 2.78
    ACD/BCF (pH 7.4): 76.20
    ACD/KOC (pH 7.4): 773.94
    Polar Surface Area: 86 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 50.9±5.0 dyne/cm
    Molar Volume: 335.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement