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CHEBI:201692 - Tetrahymanone

Default Structure
ChEBI IDCHEBI:201692
ChEBI NameTetrahymanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILESCC1(C)CCCC2(C)C1CCC1(C)C2CCC2C3(C)CCC(=O)C(C)(C)C3CCC21C
InChIInChI=1S/C30H50O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-23H,9-19H2,1-8H3
InChIKeyIMOCDWIUBNNKCU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tetrahymanone (CHEBI:201692) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-2,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-1H-picen-3-one
Manual XrefsDatabases
62783576ChemSpider