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CHEBI:72618 - taraxastane

ChEBI IDCHEBI:72618
ChEBI Nametaraxastane
Stars
DefinitionA triterpene resulting from the migration of a methyl group in ring E of the oleanane precursor. It is a stereoisomer of the triterpene ursane (18α,19α,20β-ursane).
Last Modified27 February 2013
Submitternamrata
DownloadsMolfile
FormulaC30H52
Net Charge0
Average Mass412.746
Monoisotopic Mass412.40690
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CC[C@H](C)[C@@H](C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C30H52/c1-20-12-16-27(5)18-19-29(7)22(25(27)21(20)2)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t20-,21+,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
InChIKeyOOTXFYSZXCPMPG-DJRORNMDSA-N
ChEBI Ontology
Outgoing Relation(s)
taraxastane (CHEBI:72618) is a triterpene (CHEBI:35191)
Incoming Relation(s)
hyperinol A (CHEBI:66054) has parent hydride taraxastane (CHEBI:72618)
hyperinol B (CHEBI:66055) has parent hydride taraxastane (CHEBI:72618)
taraxasterol (CHEBI:9401) has parent hydride taraxastane (CHEBI:72618)
IUPAC Name 
(18α,19α,20β)-ursane
Registry NumbersSources
Reaxys:2562717Reaxys