CHEBI:36777 - (1S)-bornane-2,3-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S)-bornane-2,3-dione
ChEBI ID CHEBI:36777
ChEBI ASCII Name (1S)-bornane-2,3-dione
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H14O2
Net Charge 0
Average Mass 166.21696
Monoisotopic Mass 166.09938
InChI InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKey VNQXSTWCDUXYEZ-QUBYGPBYSA-N
SMILES CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O
ChEBI Ontology
Outgoing (1S)-bornane-2,3-dione (CHEBI:36777) is a bornane-2,3-dione (CHEBI:34607)
(1S)-bornane-2,3-dione (CHEBI:36777) is enantiomer of (1R)-bornane-2,3-dione (CHEBI:36778)
Incoming (1R)-bornane-2,3-dione (CHEBI:36778) is enantiomer of (1S)-bornane-2,3-dione (CHEBI:36777)
IUPAC Name
(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Synonym Source
(1S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione NIST Chemistry WebBook
Registry Numbers Types Sources
2613999 Beilstein Registry Number Beilstein
2767-84-2 CAS Registry Number NIST Chemistry WebBook
2767-84-2 CAS Registry Number ChemIDplus
3649450 Beilstein Registry Number Beilstein
Last Modified
13 October 2006