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CHEBI:204325 - 1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid

Default Structure
ChEBI IDCHEBI:204325
ChEBI Name1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H48O4/c1-18(2)9-8-10-19(26(33)34)20-13-15-29(6)21-11-12-23-27(3,4)24(31)17-25(32)30(23,7)22(21)14-16-28(20,29)5/h9,19-20,23-25,31-32H,8,10-17H2,1-7H3,(H,33,34)/t19-,20-,23+,24+,25-,28-,29+,30-/m1/s1
InChIKeyYEOMLIHWOWWLRD-WFWXTSHESA-N
Species of MetaboliteComponentSourceComments
Irpex laceratus (ncbitaxon:194684) - DOI (10.1007/s10600-013-0701-2)
ChEBI Ontology
Outgoing Relation(s)
1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid (CHEBI:204325) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(1R,3S,5S,10S,13R,14R,17R)-1,3-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Manual XrefsDatabases
58825992ChemSpider