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Concept information

Preferred term

4-pregnen-20,21-diol-3-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C21H32O3

has_parent_hydride

inchi

  • InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-19,22,24H,3-10,12H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1

inchikey

  • ZCFUAGVJMSGCHS-FYGMKCHKSA-N

mass

  • 332.478

monoisotopicmass

  • 332.23514

smiles

  • C1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@@]4([C@@](CC[C@@]24[H])([H])C(CO)O)C)[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 20,21-dihydroxypregn-4-en-3-one
  • 4-pregnen-20,21-diol-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87841

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