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CHEBI:209975 - (23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one

ChEBI IDCHEBI:209975
ChEBI Name(23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O6
Net Charge0
Average Mass476.654
Monoisotopic Mass476.31379
SMILESC[C@H]1[C@H]([C@@H](O)[C@@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)OC[C@@H]1C
InChIInChI=1S/C28H44O6/c1-15-14-34-23(16(15)2)24(31)27(5,32)22-8-11-28(33)19-13-21(30)20-12-17(29)6-9-25(20,3)18(19)7-10-26(22,28)4/h13,15-18,20,22-24,29,31-33H,6-12,14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25+,26+,27-,28+/m0/s1
InChIKeyFBQJWZJYUOWAOR-UBTGPEGFSA-N
Species of MetaboliteComponentSourceComments
Polyporus umbellatus (ncbitaxon:158314) - PubMed (17666835)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(23R,24R,25R)-23,26-epoxy-3beta,14alpha,21alpha,22alpha-tetrahydroxyergost-7-en-6-one (CHEBI:209975) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,5R,9R,10R,13R,14S,17S)-17-[(1R,2S)-1-[(2R,3R,4R)-3,4-dimethyloxolan-2-yl]-1,2-dihydroxypropan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
78441095ChemSpider