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Concept information

Preferred term

pregn-5-ene-3beta,20beta-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O2

inchi

  • InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1

inchikey

  • QAAQQTDJEXMIMF-NFJVIFTASA-N

mass

  • 318.501

monoisotopicmass

  • 318.25588

smiles

  • O[C@@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C)[H])C

subset

  • 2_STAR

synonym EXACT

  • (3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166782

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