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CHEBI:201694 - Tetrahymanol acetate

Default Structure
ChEBI IDCHEBI:201694
ChEBI NameTetrahymanol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O2
Net Charge0
Average Mass470.782
Monoisotopic Mass470.41238
SMILESCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4(C)CCCC(C)(C)C4CCC23C)C1(C)C
InChIInChI=1S/C32H54O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h22-26H,10-20H2,1-9H3
InChIKeyDPJNHLGIKPTUJC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tetrahymanol acetate (CHEBI:201694) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-yl] acetate
Manual XrefsDatabases
10283603ChemSpider