CHEBI:70338 - (22E,24R)-ergosta-7,22-diene-3β,6β-diol

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ChEBI Name (22E,24R)-ergosta-7,22-diene-3β,6β-diol
ChEBI ID CHEBI:70338
ChEBI ASCII Name (22E,24R)-ergosta-7,22-diene-3beta,6beta-diol
Definition An ergostanoid that is (22E)-ergosta-7,22-diene substituted by β-hydroxy groups at positions 3 and 6. It has been isolated from Aspergillus ochraceus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H46O2
Net Charge 0
Average Mass 414.66360
Monoisotopic Mass 414.34978
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25?,26+,27+,28+/m0/s1
InChIKey HGGDUZQCHPXQPL-DJTZJKDYSA-N
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Aspergillus ochraceus (NCBI:txid40380) Found in mycelium (BTO:0001436). MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum of strain EN 31 See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (22E,24R)-ergosta-7,22-diene-3β,6β-diol (CHEBI:70338) has role Aspergillus metabolite (CHEBI:76956)
(22E,24R)-ergosta-7,22-diene-3β,6β-diol (CHEBI:70338) is a 3β-hydroxy steroid (CHEBI:36836)
(22E,24R)-ergosta-7,22-diene-3β,6β-diol (CHEBI:70338) is a 5β-hydroxy steroid (CHEBI:38195)
(22E,24R)-ergosta-7,22-diene-3β,6β-diol (CHEBI:70338) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3β,6β,22E)-ergosta-7,22-diene-3,6-diol
Registry Number Type Source
5302651 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21043476 PubMed citation Europe PMC
Last Modified
13 January 2014