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CHEBI:222754 - 27-hydroxylanosta-8,25-diene-3,7,24-trione

Default Structure
ChEBI IDCHEBI:222754
ChEBI Name27-hydroxylanosta-8,25-diene-3,7,24-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILESC=C(CO)C(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H44O4/c1-18(8-9-22(32)19(2)17-31)20-10-15-30(7)26-21(11-14-29(20,30)6)28(5)13-12-25(34)27(3,4)24(28)16-23(26)33/h18,20,24,31H,2,8-17H2,1,3-7H3/t18-,20-,24+,28-,29-,30+/m1/s1
InChIKeyBJWLOIPUZZBIEJ-OFCZHXPESA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25457485)
ChEBI Ontology
Outgoing Relation(s)
27-hydroxylanosta-8,25-diene-3,7,24-trione (CHEBI:222754) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-17-[(2R)-6-(hydroxymethyl)-5-oxohept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Manual XrefsDatabases
78442060ChemSpider