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CHEBI:141020 - cyclooctat-9-en-5,7-diol

ChEBI IDCHEBI:141020
ChEBI Namecyclooctat-9-en-5,7-diol
Stars
DefinitionA carbotricyclic compound that is cyclooctatin in which the hydroxymethyl substituent has been reduced to the corresponding methyl group. It is the biosynthetic precursor of cyclooctatin.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILES[H][C@]12C[C@@]3(C)CC[C@H](C(C)C)/C3=C/C[C@](C)(O)[C@]1([H])[C@H](O)C[C@@]2([H])C
InChIInChI=1S/C20H34O2/c1-12(2)14-6-8-19(4)11-15-13(3)10-17(21)18(15)20(5,22)9-7-16(14)19/h7,12-15,17-18,21-22H,6,8-11H2,1-5H3/b16-7-/t13-,14-,15-,17-,18+,19-,20+/m1/s1
InChIKeyPAGWWOOUBKDVRF-NNLKJMRESA-N
ChEBI Ontology
Outgoing Relation(s)
cyclooctat-9-en-5,7-diol (CHEBI:141020) has functional parent cyclooctatin (CHEBI:78370)
cyclooctat-9-en-5,7-diol (CHEBI:141020) is a carbotricyclic compound (CHEBI:38032)
cyclooctat-9-en-5,7-diol (CHEBI:141020) is a diterpenoid (CHEBI:23849)
cyclooctat-9-en-5,7-diol (CHEBI:141020) is a secondary alcohol (CHEBI:35681)
cyclooctat-9-en-5,7-diol (CHEBI:141020) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,3R,3aS,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]annulene-3,4-diol
Synonym  Source
cyclooctat-9-en-5,7-diolChEBI
UniProt Name  Source
cyclooctat-9-ene-5,7-diolUniProt
Manual XrefsDatabases
CPD-16668MetaCyc
Citations