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CHEBI:227251 - 3beta-Hydroxylanosta-7, 9 (11), 24-trien-21-oic acid

Default Structure
ChEBI IDCHEBI:227251
ChEBI Name3beta-Hydroxylanosta-7, 9 (11), 24-trien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,14,20-21,24-25,31H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20-,21-,24?,25+,28-,29-,30+/m1/s1
InChIKeyQFPLAAZRZNKRRY-KHXUTHGGSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - DOI (10.1248/cpb.18.779)
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxylanosta-7, 9 (11), 24-trien-21-oic acid (CHEBI:227251) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-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
78437829ChemSpider