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CHEBI:198438 - 21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol

Default Structure
ChEBI IDCHEBI:198438
ChEBI Name21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESC/C(=C\CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)CO
InChIInChI=1S/C30H46O4/c1-19(17-31)8-7-9-20(18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h8,20-21,24,31-32H,7,9-18H2,1-6H3/b19-8+/t20-,21+,24-,28+,29+,30-/m0/s1
InChIKeyUGYIDRFXVRAGAP-FBQVLDQFSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25457485)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol (CHEBI:198438) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-17-[(E,2R)-1,7-dihydroxy-6-methylhept-5-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
78441969ChemSpider