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CHEBI:62262 - isomultiflorenol

Default Structure
ChEBI IDCHEBI:62262
ChEBI Nameisomultiflorenol
Stars
DefinitionA pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 8, which has a double bond between positions 8 and 9, and which is substituted by an α-methyl group at position 13.
Last Modified7 June 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3
InChIInChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22-,23+,24-,27+,28+,29+,30-/m0/s1
InChIKeyMCSMMGJCXCBSKD-XCHVDQMNSA-N
ChEBI Ontology
Outgoing Relation(s)
isomultiflorenol (CHEBI:62262) is a pentacyclic triterpenoid (CHEBI:25872)
isomultiflorenol (CHEBI:62262) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3S,4aR,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-ol
Synonym  Source
(3β,13α,14β)-13-methyl-26-norolean-8-en-3-olChemIDplus
UniProt Name  Source
isomultiflorenolUniProt
Manual XrefsDatabases
CPD-13050MetaCyc
JP2002209576Patent
Registry NumbersSources
Reaxys:2482007Reaxys
CAS:24462-48-4ChemIDplus
Citations