CHEBI:204413 - [(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadecanoate

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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 octadecanoate
ChEBI ID CHEBI:204413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H60O2
Net Charge 0
Average Mass 488.841
Monoisotopic Mass 488.45933
InChI InChI=1S/C33H60O2/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/h23,29-30H,6-22,24-27H2,1-5H3/t29-,30?,33+/m0/s1
InChIKey FORDSCBVDCJMEH-CGAUKSQNSA-N
SMILES O=C(OC[C@H]1C(=CCC2[C@@]1(CCCC2(C)C)C)C)CCCCCCCCCCCCCCCCC
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 octadecanoate (CHEBI:204413) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(1S,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl octadecanoate