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CHEBI:200424 - 22E,24R-3beta, 5alpha ,6alpha-trihydroxyergosta-7, 22-diene

Default Structure
ChEBI IDCHEBI:200424
ChEBI Name22E,24R-3beta, 5alpha ,6alpha-trihydroxyergosta-7, 22-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILESCC(C)[C@@H](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)[C@H]3CC[C@]12C
InChIInChI=1S/C28H46O3/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/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKeyARXHRTZAVQOQEU-QYYFJRRUSA-N
Species of MetaboliteComponentSourceComments
Catathelasma imperiale (ncbitaxon:181976) - DOI (10.1002/cjoc.20030211031)
ChEBI Ontology
Outgoing Relation(s)
22E,24R-3beta, 5alpha ,6alpha-trihydroxyergosta-7, 22-diene (CHEBI:200424) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
26949204ChemSpider