CHEBI:39212 - spinosic acid A

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ChEBI Name spinosic acid A
ChEBI ID CHEBI:39212
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O4
Net Charge 0
Average Mass 472.69972
Monoisotopic Mass 472.35526
InChI InChI=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
InChIKey KFALHTDSQSJCFC-HFYZCPLSSA-N
SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](O)C(C)(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C
ChEBI Ontology
Outgoing 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
Spinossäure ChEBI
Registry Numbers Types Sources
2229042 Beilstein Registry Number Beilstein
32205-23-5 CAS Registry Number ChemIDplus
Last Modified
07 January 2008
General Comment
2007-08-16 See: Aplin, R.T., Hui, W.H., Ho, C.T. and Yee, C.W. (1971) An examination of the rubiaceae of Hong Kong. Part VIII. The structure of spinosic acid A, a new triterpenoid sapogenin from Randia spinosa (Thunb.) Poir. J. Chem. Soc. C, 1067-1069. [DOI:10.1039/J39710001067]