CHEBI:190930 - beta-amyrin acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name beta-amyrin acetate
ChEBI ID CHEBI:190930
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H52O2
Net Charge 0
Average Mass 468.766
Monoisotopic Mass 468.39673
InChI InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24-,25+,26-,29+,30-,31+,32+/m0/s1
InChIKey UMRPOGLIBDXFNK-ZYGITSNFSA-N
SMILES O([C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CCC(C5)(C)C)C)[H])=CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)C(=O)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing beta-amyrin acetate (CHEBI:190930) is a triterpenoid (CHEBI:36615)
IUPAC Name
[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Manual Xref Database
83201 ChemSpider
View more database links
Registry Number Type Source
1616-93-9 CAS Registry Number ChemIDplus