Cas no 78761-59-8 (Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)-)

Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)- structure
78761-59-8 structure
Product Name:Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)-
CAS No:78761-59-8
MF:C22H30O5
MW:374.470607280731
CID:564929
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)-
    • 11β.17α.21-Trihydroxy-16α-methyl-pregnadien-(1.4)-dion-(3.20)
    • (11α,16α)-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
    • 278-982-7
    • Inchi： 1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1
    • InChI Key： WNYLPFCKNQAAMB-JPDWDDBRSA-N
    • SMILES： O[C@]1(C(CO)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 374.20900

Experimental Properties

  • PSA: 94.83000
  • LogP: 1.80360

Pregna-1,4-diene-3,20-dione,11,17,21-trihydroxy-16-methyl-, (11a,16a)- Related Literature

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