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CHEBI:223245 - 3alpha,16alpha-dihydroxylanosta-7,9(11),24-trien-21-oic acid

Default Structure
ChEBI IDCHEBI:223245
ChEBI Name3alpha,16alpha-dihydroxylanosta-7,9(11),24-trien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C30H46O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,13,19,22-25,31-32H,8,10,12,14-17H2,1-7H3,(H,33,34)/t19-,22-,23+,24-,25+,28-,29-,30+/m1/s1
InChIKeyXSLKAKROJKMHIT-HBZKPHNJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (16933889)
ChEBI Ontology
Outgoing Relation(s)
3alpha,16alpha-dihydroxylanosta-7,9(11),24-trien-21-oic acid (CHEBI:223245) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Manual XrefsDatabases
17241870ChemSpider