(Q76512389)

English

[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-methylbutanoate

chemical compound

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Statements

type of chemical entity

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chemical compound

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238.193280072 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

D-bornyl isovalerate

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-

1 reference

based on heuristic

inferred from InChI

isobornyl isovalerate

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based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₆O₂

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canonical SMILES

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

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C

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Identifiers

InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1

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MPYYVGIJHREDBO-YWPYICTPSA-N

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CAS Registry Number

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1 reference

MPYYVGIJHREDBO-YWPYICTPSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=85699-69-0

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID901011803

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DTXCID001011806

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Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

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