EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226553 - 5,18-dedihydroxycyclooctatin

ChEBI IDCHEBI:226553
ChEBI Name5,18-dedihydroxycyclooctatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILESCC(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@H]3[C@@](C)(O)CC=C12
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/t14-,15-,16-,18-,19-,20+/m1/s1
InChIKeyJEGYHIKVYHOKQY-NGIBWZRKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2019.01.025)
ChEBI Ontology
Outgoing Relation(s)
5,18-dedihydroxycyclooctatin (CHEBI:226553) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,3R,4R,7R,8S,12R)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol