L-alpha-bornyl acetate (Q106040380)

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chemical compound

• [(1S,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate

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Language	Label	Description	Also known as
English	L-alpha-bornyl acetate	chemical compound	[(1S,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate

Statements

instance of

type of chemical entity

0 references

subclass of

(±)-bornyl acetate

1 reference

based on heuristic

inferred from InChIKey

mass

196.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(-)-bornyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(±)-isobornyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(−)-bornyl acetate

1 reference

based on heuristic

inferred from InChIKey

(+)-bornyl acetate

1 reference

based on heuristic

inferred from InChI

isobornyl acetate

1 reference

based on heuristic

inferred from InChI

(1R,2S,4R)-bornyl acetate

1 reference

based on heuristic

inferred from InChI

isobomyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₂₀O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OC1CC2CCC1(C)C2(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)O[C@@H]1CC2CC[C@@]1(C)C2(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12-/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

KGEKLUUHTZCSIP-GTFYECCDSA-N

1 reference

stated in

ChEBI release 2021-03-01

PubChem CID

131752808

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

InChIKey

InChIKey

KGEKLUUHTZCSIP-GTFYECCDSA-N

ChEBI ID

167343

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12-/m1/s1

UniChem compound ID

99885328

1 reference

stated in

UniChem

Human Metabolome Database ID

HMDB0040397

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KGEKLUUHTZCSIP-GTFYECCDSA-N

 

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