CHEBI:87716 - (−)-dihydroedulan II

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ChEBI Name (−)-dihydroedulan II
ChEBI ID CHEBI:87716
ChEBI ASCII Name (-)-dihydroedulan II
Definition An organic heterobicyclic compound that is 3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran substituted by methyl groups at positions 2, 5, 5 and 8a respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H22O
Net Charge 0
Average Mass 194.314
Monoisotopic Mass 194.16707
InChI InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13-/m0/s1
InChIKey IVTQSEFLDHBCDZ-LOWVWBTDSA-N
SMILES [C@@]12(C(CC=C[C@@]2(O[C@H](CC1)C)C)(C)C)[H]
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-dihydroedulan II (CHEBI:87716) has role metabolite (CHEBI:25212)
(−)-dihydroedulan II (CHEBI:87716) is a organic heterobicyclic compound (CHEBI:27171)
(−)-dihydroedulan II (CHEBI:87716) is a oxacycle (CHEBI:38104)
IUPAC Name
(2S,4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran
Registry Numbers Types Sources
41678-32-4 CAS Registry Number ChemIDplus
4800259 Reaxys Registry Number Reaxys
Last Modified
27 August 2015