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

ChEBI IDCHEBI:70338
ChEBI Name(22E,24R)-ergosta-7,22-diene-3β,6β-diol
Stars
ASCII Name(22E,24R)-ergosta-7,22-diene-3beta,6beta-diol
DefinitionAn 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.
Last Modified13 January 2014
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=C[C@@H](O)C2C[C@@H](O)CC[C@@]21C
InChIInChI=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
InChIKeyHGGDUZQCHPXQPL-DJTZJKDYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) mycelium (BTO:0001436) PubMed (21043476) MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum Strain: EN 31
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(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 NumbersSources
Reaxys:5302651Reaxys
Citations