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CHEBI:200490 - (22E,24R)-ergosta-7,9(11),22-triene-3beta,5alpha,6beta-triol

ChEBI IDCHEBI:200490
ChEBI Name(22E,24R)-ergosta-7,9(11),22-triene-3beta,5alpha,6beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESCC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+/t18?,19-,20+,22-,23+,25-,26-,27-,28+/m1/s1
InChIKeyFMEOHNKBCMQEEH-PUYVNNIGSA-N
Species of MetaboliteComponentSourceComments
Grifola (ncbitaxon:5626) - DOI (10.1248/cpb.45.1756)
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-ergosta-7,9(11),22-triene-3beta,5alpha,6beta-triol (CHEBI:200490) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,10R,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
78436625ChemSpider