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CHEBI:179067 - Urs-13(18)-en-3beta-yl acetate

Default Structure
ChEBI IDCHEBI:179067
ChEBI NameUrs-13(18)-en-3beta-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O2
Net Charge0
Average Mass468.766
Monoisotopic Mass468.39673
SMILESCC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2=C4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C
InChIInChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20-21,24-26H,10-19H2,1-9H3/t20-,21+,24?,25?,26?,29-,30+,31-,32-/m1/s1
InChIKeyIKRLOJLDFINHCU-QBXPSLMRSA-N
ChEBI Ontology
Outgoing Relation(s)
Urs-13(18)-en-3beta-yl acetate (CHEBI:179067) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(6aR,6bS,8aR,11R,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Manual XrefsDatabases
35014328ChemSpider
HMDB0036960HMDB