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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cyclooctat-9-en-5,7-diol ChEBI ID CHEBI:141020 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H34O2 Net Charge 0 Average Mass 306.490 Monoisotopic Mass 306.25588 InChI InChI=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 InChIKey PAGWWOOUBKDVRF-NNLKJMRESA-N SMILES [H][C@@]1(C)C[C@@H](O)[C@]2([H])[C@]1([H])C[C@@]1(C)CC[C@H](C(C)C)\C1=C\C[C@]2(C)O ChEBI Ontology Outgoing 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 Synonyms Sources cyclooctat-9-en-5,7-diol ChEBI cyclooctat-9-ene-5,7-diol UniProt Manual Xref Database CPD-16668 MetaCyc View more database links Citations Types Sources 19635410 PubMed citation SUBMITTER 27216162 PubMed citation SUBMITTER Last Modified 03 August 2020