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CHEBI:82801 - (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol

ChEBI IDCHEBI:82801
ChEBI Name(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
Stars
ASCII Name(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
DefinitionA fifteen-membered macrocyclic diterpenoid consisting of (1S,4E,8E,12E)-cyclopentadeca-4,8,12-trien-1-ol carrying five additional methyl substituents at positions 2, 2, 5, 9 and 13.
Last Modified4 November 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILESC/C1=C\CC/C(C)=C/CC(C)(C)[C@@H](O)CC/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-16-8-6-10-17(2)12-13-19(21)20(4,5)15-14-18(3)11-7-9-16/h9-10,14,19,21H,6-8,11-13,15H2,1-5H3/b16-9+,17-10+,18-14+/t19-/m0/s1
InChIKeyBAHYVRQOLFYWAA-CRVSJLGISA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a cycloalkatriene (CHEBI:36402)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a diterpenoid (CHEBI:23849)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a macrocycle (CHEBI:51026)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a olefinic compound (CHEBI:78840)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
UniProt Name  Source
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-olUniProt
Manual XrefsDatabases
CPD-16931MetaCyc
Registry NumbersSources
Reaxys:27195906Reaxys
Citations