CHEBI:181945 - 14-Epi-Thalianol

ChEBI IDCHEBI:181945
ChEBI Name14-Epi-Thalianol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CCC3=C(CC[C@]3(C)[C@@H](C)CC/C=C(\C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O/c1-21(2)11-9-12-22(3)13-10-14-23(4)29(7)19-17-25-24(29)15-16-26-28(5,6)27(31)18-20-30(25,26)8/h11,13,23,26-27,31H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,26-,27-,29+,30+/m0/s1
InChIKeyDGAGPZOBTQYNRE-NQCQTZSJSA-N
ChEBI Ontology
Outgoing Relation(s)
14-Epi-Thalianol (CHEBI:181945) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3R,5aR,7S,9aS)-3-[(2S,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-7-ol
Manual XrefsDatabases
30790926ChemSpider
C19832KEGG COMPOUND