(Q105344963)

English

(4S)-4-[(2R)-4-oxopentan-2-yl]cyclohexene-1-carboxylic acid

chemical compound

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Statements

type of chemical entity

0 references

chemical compound

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210.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R)-4-[(2R)-4-oxopentan-2-yl]cyclohexene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₈O₃

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canonical SMILES

O=C(O)C1=CCC(CC1)C(C)CC(=O)C

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isomeric SMILES

CC(=O)C[C@@H](C)[C@@H]1CC=C(C(=O)O)CC1

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1 reference

Terpene acids from Cedrus libani

Identifiers

InChI=1S/C12H18O3/c1-8(7-9(2)13)10-3-5-11(6-4-10)12(14)15/h5,8,10H,3-4,6-7H2,1-2H3,(H,14,15)/t8-,10-/m1/s1

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XZILMTFQXIMXQT-PSASIEDQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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