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CHEBI:229006 - 3beta-Hydroxy-16alpha-acetoxy-lanosta-7,9(11),24-trien-21-oic acid

Default Structure
ChEBI IDCHEBI:229006
ChEBI Name3beta-Hydroxy-16alpha-acetoxy-lanosta-7,9(11),24-trien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILESCC(=O)OC1CC2(C)C3=CCC4C(C)(CCC(O)C4(C)C)C3=CCC2(C)C1C(CCC=C(C)C)C(=O)O
InChIInChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(37-20(3)33)18-32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)
InChIKeyLFXVUAQZGUJJRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
3beta-Hydroxy-16alpha-acetoxy-lanosta-7,9(11),24-trien-21-oic acid (CHEBI:229006) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-(16-acetyloxy-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
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4476753ChemSpider