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CHEBI:79776 - allobetulinol

ChEBI IDCHEBI:79776
ChEBI Nameallobetulinol
Stars
DefinitionA triterpenoid that is (18α)-19,28-epoxyoleanane substituted by a hydroxy group at position 3.
Last Modified11 March 2015
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@]45CCC(C)(C)[C@@]([H])(OC4)[C@@]53[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKeyBZNIIOGSANMIET-HWNNWUPFSA-N
ChEBI Ontology
Outgoing Relation(s)
allobetulinol (CHEBI:79776) has parent hydride oleanane (CHEBI:36481)
allobetulinol (CHEBI:79776) is a cyclic ether (CHEBI:37407)
allobetulinol (CHEBI:79776) is a secondary alcohol (CHEBI:35681)
allobetulinol (CHEBI:79776) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3β,18α)-19,28-epoxyoleanan-3-ol
Synonyms  Source
AllobetulinKEGG COMPOUND
19beta,28-Epoxy-18alpha-oleanan-3beta-olKEGG COMPOUND
Manual XrefsDatabases
C15274KEGG COMPOUND
RU2374261Patent
US2002119935Patent
Registry NumbersSources
Reaxys:36180Reaxys
CAS:1617-72-7KEGG COMPOUND
Citations