CHEBI:172505 - Cedryl acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Cedryl acetate
ChEBI ID CHEBI:172505
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H28O2
Net Charge 0
Average Mass 264.409
Monoisotopic Mass 264.20893
InChI InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChIKey HQKQRXZEXPXXIG-DTWJZALFSA-N
SMILES O([C@]1([C@]2(C([C@]3([C@@](C2)([C@@H](CC3)C)CC1)[H])(C)C)[H])C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Cedryl acetate (CHEBI:172505) is a cedrane sesquiterpenoid (CHEBI:36745)
IUPAC Name
[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
Manual Xref Database
19952558 ChemSpider
View more database links
Registry Number Type Source
77-54-3 CAS Registry Number ChemIDplus