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Concept information

organooxygen compound > ether > (22e,24r)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > (22e,24r)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol

Preferred term

(22e,24r)-ergosta-7,22-diene-6beta-methoxy-3beta,5alpha-diol  

Type

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

charge

  • 0

formula

  • C29H48O3

has_functional_parent

inchi

  • InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1

inchikey

  • GQVCGTRDXSDAHC-KNXFMRPFSA-N

mass

  • 444.68960

monoisotopicmass

  • 444.36035

smiles

  • CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O

subset

  • 3_STAR

synonym EXACT

  • (3beta,5alpha,6beta,22E)-6-methoxyergosta-7,22-diene-3,5-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70337

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