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CHEBI:204240 - 3-hydroxyl-(22E, 24R)-ergosta-5,8,22-trien-7,15-dione

ChEBI IDCHEBI:204240
ChEBI Name3-hydroxyl-(22E, 24R)-ergosta-5,8,22-trien-7,15-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
InChIInChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)22-15-24(31)26-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h7-8,14,16-18,20,22,26,29H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20-,22+,26-,27-,28+/m0/s1
InChIKeyHSRKDEUTHACTMM-GTPSUKJLSA-N
Species of MetaboliteComponentSourceComments
Rhizopusspecies (ncbitaxon:1914426) - PubMed (17900642)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyl-(22E, 24R)-ergosta-5,8,22-trien-7,15-dione (CHEBI:204240) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,11,12,14,16,17-octahydro-1H-cyclopenta[a]phenanthrene-7,15-dione
Manual XrefsDatabases
26949200ChemSpider