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CHEBI:64971 - ergosta-5,7,22,24(28)-tetraen-3β-yl acetate

ChEBI IDCHEBI:64971
ChEBI Nameergosta-5,7,22,24(28)-tetraen-3β-yl acetate
Stars
ASCII Nameergosta-5,7,22,24(28)-tetraen-3beta-yl acetate
DefinitionA sterol ester that is ergosta-5,7,22,24(28)-tetraen-3β-ol in which the hydroxyl hydrogen is substituted by an acetyl group.
Last Modified20 June 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC30H44O2
Net Charge0
Average Mass436.680
Monoisotopic Mass436.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/C(=C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](OC(C)=O)CC[C@@]21C
InChIInChI=1S/C30H44O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19,21,24,26-28H,3,12-18H2,1-2,4-7H3/b9-8+/t21-,24+,26-,27+,28+,29+,30-/m1/s1
InChIKeyBHQJNSKSHBXZQJ-UUIIXSECSA-N
ChEBI Ontology
Outgoing Relation(s)
ergosta-5,7,22,24(28)-tetraen-3β-yl acetate (CHEBI:64971) has parent hydride 5α-ergostane (CHEBI:20652)
ergosta-5,7,22,24(28)-tetraen-3β-yl acetate (CHEBI:64971) is a sterol ester (CHEBI:35915)
IUPAC Name 
(22E)-ergosta-5,7,22,24(28)-tetraen-3β-yl acetate
Synonyms  Source
ergosta-5,7,22,24(28)-tetraen-3β-ol acetateChEBI
(3β,22E)-ergosta-5,7,22,24(28)-tetraen-3-yl acetateIUPAC
UniProt Name  Source
ergosta-5,7,22,24(28)-tetraen-3β-yl acetateUniProt
Registry NumbersSources
Reaxys:3175376Reaxys