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CHEBI:206596 - 22E, 24R-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol

ChEBI IDCHEBI:206596
ChEBI Name22E, 24R-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O5
Net Charge0
Average Mass462.671
Monoisotopic Mass462.33452
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
InChIInChI=1S/C28H46O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,23,29-33H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKeyQGNJGKWIOMQCST-BESWQEFHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (18855213)
ChEBI Ontology
Outgoing Relation(s)
22E, 24R-ergosta-7,22-diene-3beta,5alpha,6beta,9alpha,14alpha-pentol (CHEBI:206596) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6,9,14-pentol
Manual XrefsDatabases
78441070ChemSpider