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

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ChEBI Name (3β,5α)-ergosta-8,22-dien-3-ol
ChEBI ID CHEBI:77691
ChEBI ASCII Name (3beta,5alpha)-ergosta-8,22-dien-3-ol
Definition A 3β-sterol consisting of an ergostane skeleton with double bonds at positions 8(9) and 22.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H46O
Net Charge 0
Average Mass 398.66420
Monoisotopic Mass 398.35487
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
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
ChEBI Ontology
Outgoing (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 Sources
5α-ergosta-8,22-dien-3β-ol ChEBI
delta-8(9),22-Ergostadiene-3beta-ol ChemIDplus
Registry Numbers Types Sources
3163428 Reaxys Registry Number Reaxys
6673-68-3 CAS Registry Number ChemIDplus
Last Modified
13 March 2014