CHEBI:201912 - [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadeca-9,12-dienoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadeca-9,12-dienoate
ChEBI ID CHEBI:201912
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H56O2
Net Charge 0
Average Mass 484.809
Monoisotopic Mass 484.42803
InChI InChI=1S/C33H56O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31(34)35-27-29-28(2)23-24-30-32(3,4)25-21-26-33(29,30)5/h10-11,13-14,23,29-30H,6-9,12,15-22,24-27H2,1-5H3/t29-,30?,33+/m0/s1
InChIKey MIHFKKLJWLDGIC-CGAUKSQNSA-N
SMILES O=C(OC[C@H]1C(=CCC2[C@@]1(CCCC2(C)C)C)C)CCCCCCCC=CCC=CCCCCC
Metabolite of Species Details
Lactarius uvidus (NCBI:txid152949) See: PubMed
ChEBI Ontology
Outgoing [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadeca-9,12-dienoate (CHEBI:201912) is a oxacycle (CHEBI:38104)
IUPAC Name
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadeca-9,12-dienoate