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CHEBI:78352 - cyclooctat-9-en-7-ol

ChEBI IDCHEBI:78352
ChEBI Namecyclooctat-9-en-7-ol
Stars
DefinitionA diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, one hydroxy and three methyl substituents. Intermediate in the biosynthetic pathway to the diterpenoid cyclooctatin.
Last Modified3 August 2020
SubmitterKAX
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@]12C[C@@]3(C)CC[C@H](C(C)C)/C3=C/C[C@](C)(O)[C@]1([H])CC[C@@]2([H])C
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m1/s1
InChIKeyJEGYHIKVYHOKQY-PNDCXJIESA-N
ChEBI Ontology
Outgoing Relation(s)
cyclooctat-9-en-7-ol (CHEBI:78352) has functional parent cyclooctatin (CHEBI:78370)
cyclooctat-9-en-7-ol (CHEBI:78352) is a diterpenoid (CHEBI:23849)
IUPAC Names 
(1R,3aR,4S,6Z,7R,9aR,10aR)-1,4,9a-trimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-4-ol
(1R,3aR,4S,6Z,7R,9aR,10aR)-1,4,9a-trimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cycloocten-4-ol
Synonyms  Source
(1R,3aR,4S,6Z,7R,9aR,10aR)-7-isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-4-olIUPAC
(1R,3aR,4S,6Z,7R,9aR,10aR)-7-isopropyl-1,4,9a-trimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cycloocten-4-olIUPAC
UniProt Name  Source
cyclooctat-9-en-7-olUniProt
Manual XrefsDatabases
CPD-16667MetaCyc
Registry NumbersSources
Reaxys:28475024Reaxys
Citations