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CHEBI:39212 - spinosic acid A

ChEBI IDCHEBI:39212
ChEBI Namespinosic acid A
Stars
Last Modified7 January 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C(=O)O)CCC(C)(C)[C@H](O)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
InChIKeyKFALHTDSQSJCFC-HFYZCPLSSA-N
ChEBI Ontology
Outgoing Relation(s)
spinosic acid A (CHEBI:39212) has functional parent oleanolic acid (CHEBI:37659)
spinosic acid A (CHEBI:39212) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
3β,19β-dihydroxyolean-12-en-28-oic acid
Synonym  Source
SpinossäureChEBI
Registry NumbersSources
Beilstein:2229042Beilstein
CAS:32205-23-5ChemIDplus