Cas no 51988-99-9 (sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate)

sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate structure
51988-99-9 structure
Product Name:sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate
CAS No:51988-99-9
MF:C27H37NaO7
MW:496.568259954453
CID:1578571
PubChem ID:23717270
Update Time:2025-04-21

sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate Chemical and Physical Properties

Names and Identifiers

    • sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate
    • AY 22252
    • 3beta,14-Dihydroxy-21-oxo-23-desoxo-5beta-card-20(22)-enolide 3-hemisuccinate
    • Sodium 4-{[14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate
    • AY-22252
    • 51988-99-9
    • AY 22,252
    • sodium;4-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoate
    • DTXSID50966309
    • AY-22,252
    • Inchi： 1S/C27H38O7.Na/c1-25-11-7-17(34-23(30)6-5-22(28)29)15-16(25)3-4-21-20(25)8-12-26(2)19(9-13-27(21,26)32)18-10-14-33-24(18)31;/h10,16-17,19-21,32H,3-9,11-15H2,1-2H3,(H,28,29);/q;+1/p-1/t16-,17+,19-,20+,21-,25+,26-,27+;/m1./s1
    • InChI Key： DICDVFVPWRNAHS-YDWBLUHQSA-M
    • SMILES： [Na+].O[C@]12CC[C@H](C3C(=O)OCC=3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)OC(CCC(=O)[O-])=O

Computed Properties

  • Exact Mass: 496.24381
  • Monoisotopic Mass: 496.24369780g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 6
  • Complexity: 917
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • PSA: 112.96

sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate Related Literature

Related Categories

51988-99-9 (sodium 4-{[(3beta,5beta,14beta,17beta)-14-hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl]oxy}-4-oxobutanoate) Related Products

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