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CHEBI:63462 - glutinol

ChEBI IDCHEBI:63462
ChEBI Nameglutinol
Stars
DefinitionA pentacyclic triterpenoid that is picene which has been fully hydrogenated except for a double bond between the 4a and 5 positions and is substituted by methyl groups at the 4, 4, 6bβ, 8aβ, 11, 11, 12bα and 14bβ positions, and by a hydroxy group at the 3β position.
Last Modified23 December 2011
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)[C@@]3([H])CC=C4C(C)(C)[C@@H](O)CC[C@@]4([H])[C@]3(C)CC[C@@]21C
InChIInChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-11-9-20-21(10-12-24(31)26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h9,21-24,31H,10-19H2,1-8H3/t21-,22+,23-,24+,27-,28+,29-,30+/m1/s1
InChIKeyHFSACQSILLSUII-ISSAZSKYSA-N
ChEBI Ontology
Outgoing Relation(s)
glutinol (CHEBI:63462) is a pentacyclic triterpenoid (CHEBI:25872)
glutinol (CHEBI:63462) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,4,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
Synonyms  Source
glutin-5-en-3β-olChEBI
3β-hydroxyglutin-5-eneChEBI
3β-hydroxy-D:B-friedoolean-5-eneChEBI
UniProt Name  Source
glutinolUniProt
Manual XrefsDatabases
CPD-13048MetaCyc
Registry NumbersSources
Reaxys:2339451Reaxys
Citations