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

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ChEBI Name ergosta-5,7,22,24(28)-tetraen-3β-yl acetate
ChEBI ID CHEBI:64971
ChEBI ASCII Name ergosta-5,7,22,24(28)-tetraen-3beta-yl acetate
Definition A sterol ester that is ergosta-5,7,22,24(28)-tetraen-3β-ol in which the hydroxyl hydrogen is substituted by an acetyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C30H44O2
Net Charge 0
Average Mass 436.66920
Monoisotopic Mass 436.33413
InChI InChI=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
InChIKey BHQJNSKSHBXZQJ-UUIIXSECSA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)\C=C\C(=C)C(C)C
ChEBI Ontology
Outgoing 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 Sources
(3β,22E)-ergosta-5,7,22,24(28)-tetraen-3-yl acetate IUPAC
ergosta-5,7,22,24(28)-tetraen-3β-ol acetate ChEBI
ergosta-5,7,22,24(28)-tetraen-3β-yl acetate UniProt
Registry Number Type Source
3175376 Reaxys Registry Number Reaxys
Last Modified
20 June 2012