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CHEBI:76952 - syn-copalol

ChEBI IDCHEBI:76952
ChEBI Namesyn-copalol
Stars
ASCII Namesyn-copalol
DefinitionA labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 13 (the latter with E-stereochemistry) and carries a hydroxy group at the terminal C-15 position.
Last Modified27 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CCC(=C)[C@@]([H])(CC/C(C)=C/CO)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20-/m1/s1
InChIKeyNERNKRPBSOBEHC-HZEYQZKKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
syn-copalol (CHEBI:76952) has role metabolite (CHEBI:25212)
syn-copalol (CHEBI:76952) is a labdane diterpenoid (CHEBI:36770)
syn-copalol (CHEBI:76952) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(2E)-3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-ol
Synonyms  Source
(+)-9,10-syn-copalolChEBI
syn-labda-8(17),13E-dien-15-olChEBI
(+)-9,10-syn-labda-8(17),13E-dien-15-olChEBI
UniProt Name  Source
syn-copalolUniProt
Manual XrefsDatabases
CPD-14033MetaCyc
Registry NumbersSources
Reaxys:5479844Reaxys
Citations