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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36777 - (1
S
)-bornane-2,3-dione
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ChEBI Ontology
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ChEBI Name
(1
S
)-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.
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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
(1
S
)-bornane-2,3-dione (
CHEBI:36777
)
is a
bornane-2,3-dione (
CHEBI:34607
)
(1
S
)-bornane-2,3-dione (
CHEBI:36777
)
is enantiomer of
(1
R
)-bornane-2,3-dione (
CHEBI:36778
)
Incoming
(1
R
)-bornane-2,3-dione (
CHEBI:36778
)
is enantiomer of
(1
S
)-bornane-2,3-dione (
CHEBI:36777
)
IUPAC Name
(1
S
,4
R
)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Synonym
Source
(1
S
)-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