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CHEBI:80835 - Isoarborinol

ChEBI IDCHEBI:80835
ChEBI NameIsoarborinol
Stars
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CC[C@@H](C(C)C)[C@]1(C)CC[C@]1(C)[C@]2(C)CC=C2[C@@]1([H])CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1
InChIKeyVWYANPOOORUCFJ-MBVQSDBHSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoarborinol (CHEBI:80835) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C16973KEGG COMPOUND
Registry NumbersSources
CAS:5532-41-2KEGG COMPOUND