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CHEBI:207310 - (24E)-15alpha-acetoxy-3-oxolanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207310
ChEBI Name(24E)-15alpha-acetoxy-3-oxolanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILESCC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CCC3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C
InChIInChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11,19,24-25,27H,9-10,12-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,27+,30-,31-,32-/m1/s1
InChIKeyWRCXINQQYBRTRH-JBOPJBCTSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(24E)-15alpha-acetoxy-3-oxolanosta-8,24-dien-26-oic acid (CHEBI:207310) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438936ChemSpider