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CHEBI:175463 - Tirucallol

Default Structure
ChEBI IDCHEBI:175463
ChEBI NameTirucallol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]1([C@@H](C)CCC=C(C)C)CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1
InChIKeyCAHGCLMLTWQZNJ-HGKXYCPESA-N
ChEBI Ontology
Outgoing Relation(s)
Tirucallol (CHEBI:175463) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
91492ChemSpider
HMDB0037032HMDB
Registry NumbersSources
CAS:514-46-5ChemIDplus