Cas no 38753-78-5 (Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)-)

Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)- structure
38753-78-5 structure
Product Name:Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)-
CAS No:38753-78-5
MF:C22H28O4
MW:356.455327033997
CID:296851
PubChem ID:16627216
Update Time:2025-04-19

Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)- Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)-
    • (10R,13S,17R)-10,13-dimethylspiro[1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3,6-trione
    • 17a-Pregn-4-ene-21-carboxylic acid,17-hydroxy-3,6-dioxo-, g-lactone (7CI)
    • 3-(3,6-Dioxo-17b-hydroxy-4-androsten-17a-yl)propionic acid g-lactone
    • CHEMBL344142
    • SCHEMBL14285052
    • 38753-78-5
    • AKOS002597628
    • DTXSID10586229
    • (10R,13S,17R)-10,13-Dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-oxolane]-3,5',6-trione
    • Inchi： 1S/C22H28O4/c1-20-7-3-13(23)11-17(20)18(24)12-14-15(20)4-8-21(2)16(14)5-9-22(21)10-6-19(25)26-22/h11,14-16H,3-10,12H2,1-2H3/t14?,15?,16?,20-,21+,22-/m1/s1
    • InChI Key： AZEYSSQIWVQIBS-ONSQMAQPSA-N
    • SMILES： O1C(CC[C@]21CCC1C3CC(C4=CC(CC[C@]4(C)C3CC[C@@]12C)=O)=O)=O

Computed Properties

  • Exact Mass: 356.19875937g/mol
  • Monoisotopic Mass: 356.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 751
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 60.4?2

Pregn-4-ene-21-carboxylicacid, 17-hydroxy-3,6-dioxo-, g-lactone, (17a)- Related Literature

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