CHEBI:79776 - allobetulinol

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ChEBI Name allobetulinol ChEBI ID CHEBI:79776 Definition A triterpenoid that is (18α)-19,28-epoxyoleanane substituted by a hydroxy group at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H50O2 Net Charge 0 Average Mass 442.71680 Monoisotopic Mass 442.38108 InChI InChI=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 InChIKey BZNIIOGSANMIET-HWNNWUPFSA-N SMILES CC1(C)CC[C@@]23CO[C@H]1[C@@H]2[C@H]1CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]1(C)CC3 ChEBI Ontology Outgoing 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 Sources 19beta,28-Epoxy-18alpha-oleanan-3beta-ol KEGG COMPOUND Allobetulin KEGG COMPOUND Manual Xrefs Databases C15274 KEGG COMPOUND RU2374261 Patent US2002119935 Patent View more database links Registry Numbers Types Sources 1617-72-7 CAS Registry Number KEGG COMPOUND 36180 Reaxys Registry Number Reaxys Citations Types Sources 20386589 PubMed citation Europe PMC 21403601 PubMed citation Europe PMC 22551630 PubMed citation Europe PMC Last Modified 11 March 2015