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Concept information

Preferred term

(3beta,5alpha)-ergosta-8,22-dien-3-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O

has_parent_hydride

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/h7-8,18-22,24-25,29H,9-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,27-,28+/m0/s1

inchikey

  • NBGSQCOKVDHDGJ-MJXYXNKESA-N

mass

  • 398.66420

monoisotopicmass

  • 398.35487

smiles

  • CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3

subset

  • 3_STAR

synonym EXACT

  • (3beta,5alpha,22E)-ergosta-8,22-dien-3-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77691

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