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CHEBI:175459 - Epi-alpha-amyrin

Default Structure
ChEBI IDCHEBI:175459
ChEBI NameEpi-alpha-amyrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12C3=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]1(C)CC[C@H](C)[C@H]2C
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+/m0/s1
InChIKeyFSLPMRQHCOLESF-QJYIJPODSA-N
ChEBI Ontology
Outgoing Relation(s)
Epi-alpha-amyrin (CHEBI:175459) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Manual XrefsDatabases
35014182ChemSpider
HMDB0036657HMDB