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CHEBI:73301 - tirucallane

ChEBI IDCHEBI:73301
ChEBI Nametirucallane
Stars
DefinitionA triterpene that is (13α,14β,17α,20S)-lanostane.
Last Modified1 October 2014
Submitternamrata
DownloadsMolfile
FormulaC30H54
Net Charge0
Average Mass414.762
Monoisotopic Mass414.42255
SMILES[H][C@]12CC[C@]3(C)[C@](C)(CC[C@@]3([H])[C@@H](C)CCCC(C)C)[C@]1([H])CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,28+,29-,30+/m0/s1
InChIKeyZQIOPEXWVBIZAV-RSKDDJKESA-N
ChEBI Ontology
Outgoing Relation(s)
tirucallane (CHEBI:73301) is a triterpene (CHEBI:35191)
Incoming Relation(s)
tirucallane triterpenoid (CHEBI:83211) has parent hydride tirucallane (CHEBI:73301)
IUPAC Name 
(13α,14β,17α,20S)-lanostane
Synonym  Source
tirucallaneChEBI