Cas no 52910-82-4 (Aldosterone 21-hemisuccinate)

Aldosterone 21-hemisuccinate structure
Aldosterone 21-hemisuccinate structure
Product Name:Aldosterone 21-hemisuccinate
CAS No:52910-82-4
MF:C25H32O8
MW:460.516788482666
CID:937674
Update Time:2023-11-19

Aldosterone 21-hemisuccinate Chemical and Physical Properties

Names and Identifiers

    • Aldosterone 21-hemisuccinate
    • Aldosteron-21-hemisuccinat
    • Aldosterone hemisuccinate
    • 832Q0VW947
    • Q27269388
    • CID 90473201
    • 11β-Hydroxy-3,20-dioxo-4-pregnen-18-al 21-hemisuccinate, 4-Pregnen-18-al-11β,21-diol-3,20-dione 21-hemisuccinate
    • 11β-Hydroxy-3,20-dioxo-4-pregnen-18-al 21-hemisuccinate
    • 4-Pregnen-18-al-11β,21-diol-3,20-dione 21-hemisuccinate
    • Pregn-4-en-18-al, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-3,20-dioxo-, (11β)-
    • 4-PREGNEN-11β, 21-DIOL-3, 18, 20-TRIONE 21-HEMISUCCINATE
    • Inchi: 1S/C25H32O8/c1-24-9-8-15(27)10-14(24)2-3-16-17-4-5-18(25(17,13-26)11-19(28)23(16)24)20(29)12-33-22(32)7-6-21(30)31/h10,13,16-19,23,28H,2-9,11-12H2,1H3,(H,30,31)/t16-,17-,18+,19-,23+,24-,25+/m0/s1
    • InChI Key: VNHUSHJDSBENIZ-LVSMEHJRSA-N
    • SMILES: O[C@H]1C[C@]2(C=O)[C@@H](C(COC(CCC(=O)O)=O)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 8
  • Complexity: 906
  • XLogP3: 1.1
  • Topological Polar Surface Area: 135
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