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CHEBI:63467 - δ-amyrin

ChEBI IDCHEBI:63467
ChEBI Nameδ-amyrin
Stars
ASCII Namedelta-amyrin
DefinitionA pentacyclic triterpenoid that is oleanane which has a double bond between positions 13 and 18, and in which the hydrogen at the 3β position is replaced by a hydroxy group.
Last Modified3 January 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CCC3=C4CC(C)(C)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28-,29+,30+/m0/s1
InChIKeyJOCIRBSYAYKMEF-YDPPSCFKSA-N
ChEBI Ontology
Outgoing Relation(s)
δ-amyrin (CHEBI:63467) has parent hydride oleanane (CHEBI:36481)
δ-amyrin (CHEBI:63467) is a pentacyclic triterpenoid (CHEBI:25872)
δ-amyrin (CHEBI:63467) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
olean-13(18)-en-3β-ol
Synonym  Source
(3β)-olean-13(18)-en-3-olIUPAC
UniProt Name  Source
δ-amyrinUniProt
Registry NumbersSources
Reaxys:2569379Reaxys
Citations