CHEBI:181471 - (1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

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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 (1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
ChEBI ID CHEBI:181471
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O5
Net Charge 0
Average Mass 282.336
Monoisotopic Mass 282.14672
InChI InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10-,11-,13+,14+,15+/m0/s1
InChIKey BLUAFEHZUWYNDE-KNAQKBOSSA-N
SMILES O1O[C@]2(O[C@]3(OC(=O)[C@H]([C@]4([C@@]13[C@]([C@H](CC4)C)(CC2)[H])[H])C)[H])C
ChEBI Ontology
Outgoing (1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one (CHEBI:181471) is a terpene lactone (CHEBI:37668)
IUPAC Name
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Manual Xref Database
29314798 ChemSpider
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