syn-copalol (CHEBI:76952)

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ChEBI Name	syn-copalol

ChEBI ID	CHEBI:76952

ChEBI ASCII Name	syn-copalol

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C20H34O

Net Charge

Average Mass

290.48340

Monoisotopic Mass

290.26097

InChI

InChI=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

InChIKey

NERNKRPBSOBEHC-HZEYQZKKSA-N

SMILES

C\C(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
5479844	Reaxys Registry Number	Reaxys

Citation	Type	Source
21290071	PubMed citation	SUBMITTER

Last Modified

27 January 2014