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CHEBI:77691 - (3β,5α)-ergosta-8,22-dien-3-ol

ChEBI IDCHEBI:77691
ChEBI Name(3β,5α)-ergosta-8,22-dien-3-ol
Stars
ASCII Name(3beta,5alpha)-ergosta-8,22-dien-3-ol
DefinitionA 3β-sterol consisting of an ergostane skeleton with double bonds at positions 8(9) and 22.
Last Modified13 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=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
InChIKeyNBGSQCOKVDHDGJ-MJXYXNKESA-N
ChEBI Ontology
Outgoing Relation(s)
(3β,5α)-ergosta-8,22-dien-3-ol (CHEBI:77691) has parent hydride 5α-ergostane (CHEBI:20652)
(3β,5α)-ergosta-8,22-dien-3-ol (CHEBI:77691) is a 3β-sterol (CHEBI:35348)
(3β,5α)-ergosta-8,22-dien-3-ol (CHEBI:77691) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3β,5α,22E)-ergosta-8,22-dien-3-ol
Synonyms  Source
delta-8(9),22-Ergostadiene-3beta-olChemIDplus
5α-ergosta-8,22-dien-3β-olChEBI
Registry NumbersSources
Reaxys:3163428Reaxys
CAS:6673-68-3ChemIDplus