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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 2beta,21-dihydroxypregn-4-ene-3,20-dione

Preferred term

2beta,21-dihydroxypregn-4-ene-3,20-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30O4

inchi

  • InChI=1S/C21H30O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21-/m0/s1

inchikey

  • KYRHFGKXGJXOGD-FOXYBHETSA-N

mass

  • 346.46050

monoisotopicmass

  • 346.21441

smiles

  • C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](O)C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79538

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