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CHEBI:180761 - 3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid

Default Structure
ChEBI IDCHEBI:180761
ChEBI Name3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESCC(CC(=O)CC(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O
InChIInChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)
InChIKeyVBGDQDJVTLQGNO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid (CHEBI:180761) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-methyl-4-oxo-6-(4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)heptanoic acid
Manual XrefsDatabases
57971952ChemSpider
HMDB0035980HMDB