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CHEBI:80885 - Pachymic acid

Default Structure
ChEBI IDCHEBI:80885
ChEBI NamePachymic acid
Stars
DownloadsMolfile
FormulaC33H52O5
Net Charge0
Average Mass528.774
Monoisotopic Mass528.38147
SMILES[H][C@]1([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@]1([H])CC3
InChIInChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1
InChIKeyVDYCLYGKCGVBHN-DRCQUEPLSA-N
ChEBI Ontology
Outgoing Relation(s)
Pachymic acid (CHEBI:80885) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C17044KEGG COMPOUND
Registry NumbersSources
CAS:29070-92-6KEGG COMPOUND