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CHEBI:10213 - α-amyrin

ChEBI IDCHEBI:10213
ChEBI Nameα-amyrin
Stars
ASCII Namealpha-amyrin
DefinitionA pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3β position is substituted by a hydroxy group.
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKeyFSLPMRQHCOLESF-SFMCKYFRSA-N
ChEBI Ontology
Outgoing Relation(s)
α-amyrin (CHEBI:10213) has parent hydride ursane (CHEBI:35711)
α-amyrin (CHEBI:10213) is a pentacyclic triterpenoid (CHEBI:25872)
α-amyrin (CHEBI:10213) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β)-urs-12-en-3-ol
Synonyms  Source
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-olChEBI
5α-urs-12-en-3β-olChEBI
alpha-AmyrinKEGG COMPOUND
urs-12-ene-3β-olChEBI
viminalolChemIDplus
α-amyrenolChemIDplus
UniProt Name  Source
α-amyrinUniProt
Manual XrefsDatabases
C00003737KNApSAcK
C08615KEGG COMPOUND
CPD-8250MetaCyc
LMPR0106170001LIPID MAPS
Registry NumbersSources
Reaxys:1916550Reaxys
CAS:638-95-9ChemIDplus
CAS:638-95-9KEGG COMPOUND
Citations