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Concept information

Preferred term

brassicasterol  

Type

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

charge

  • 0

formula

  • C28H46O

inchi

  • InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

inchikey

  • OILXMJHPFNGGTO-ZAUYPBDWSA-N

mass

  • 398.675

monoisotopicmass

  • 398.35487

smiles

  • [C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • (22E)-ergosta-5,22-dien-3beta-ol
  • brassicasterol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3168

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