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Concept information

Preferred term

5beta-bufol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H48O5

inchi

  • InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1

inchikey

  • XZDHXPDYLPEFQI-FIMPYCPFSA-N

mass

  • 452.676

monoisotopicmass

  • 452.35017

smiles

  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO

subset

  • 3_STAR

synonym EXACT

  • 5beta-cholestane-3alpha,7alpha,12alpha,25,26-pentol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194331

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