Cas no 24808-87-5 (Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI))

Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI) structure
24808-87-5 structure
Product Name:Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI)
CAS No:24808-87-5
MF:C25H30O8
MW:458.500908374786
CID:261267
PubChem ID:91235
Update Time:2025-04-19

Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI)
    • 4-[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
    • 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-(hydrogen succinate)
    • 4-[(17-hydroxy-3,11,20-trioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid
    • 4-[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid
    • 4-[2-(17-hydroxy-10, 13-dimethyl-3, 11-dioxo-6, 7, 8, 9, 12, 14, 15, 16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid
    • DTXSID00947724
    • NS00049641
    • 24808-87-5
    • Inchi： 1S/C25H30O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-17,22,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)
    • InChI Key： IMWBZDUOZWSUQI-UHFFFAOYSA-N
    • SMILES： OC1(C(COC(CCC(=O)O)=O)=O)CCC2C3CCC4=CC(C=CC4(C)C3C(CC21C)=O)=O

Computed Properties

  • Exact Mass: 458.19406791g/mol
  • Monoisotopic Mass: 458.19406791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 7
  • Complexity: 992
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 135?2

Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI) Related Literature

24808-87-5 (Pregna-1,4-diene-3,11,20-trione,21-(3-carboxy-1-oxopropoxy)-17-hydroxy- (9CI)) Related Products

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