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Chemistry, part 2

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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 > 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 21-hydroxy steroid > 3alpha,21-dihydroxy-5beta-pregnane-11,20-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 > 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 3alpha,21-dihydroxy-5beta-pregnane-11,20-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 > 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 21-hydroxy steroid > 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione

Preferred term

3alpha,21-dihydroxy-5beta-pregnane-11,20-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O4

inchi

  • InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,19?,20?,21?/m1/s1

inchikey

  • XWYBFXIUISNTQG-LWBRKPSMSA-N

mass

  • 348.477

monoisotopicmass

  • 348.23006

smiles

  • CC12CC(=O)C3C(CCC4C[C@H](O)CCC34C)C1CCC2C(=O)CO

subset

  • 2_STAR

synonym EXACT

  • 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

synonym RELATED

  • 5beta-Pregnane-3alpha,21-diol-11,20-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:1690

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