(Q105001450)

English

(4S)-4-[(1S)-1,5-Dimethyl-3-oxohexyl]-3-oxo-1-cyclohexene-1-carboxylic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 4-(6-methyl-4-oxoheptan-2-yl)-3-oxocyclohex-1-ene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

280.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R)-4-[(1S)-1,5-Dimethyl-3-oxohexyl]-3-oxo-1-cyclohexene-1-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (4S)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₄

0 references

canonical SMILES

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

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isomeric SMILES

COC(=O)C1=CC(=O)[C@H]([C@@H](C)CC(=O)CC(C)C)CC1

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found in taxon

Abies sachalinensis

1 reference

stated in

Juvabione analogs from Abies sachalinensis (Fr. Schm.) Mast. II.

Identifiers

InChI

InChI=1S/C16H24O4/c1-10(2)7-13(17)8-11(3)14-6-5-12(9-15(14)18)16(19)20-4/h9-11,14H,5-8H2,1-4H3/t11-,14-/m0/s1

0 references

InChIKey

FTXQQDMQYIYPAN-FZMZJTMJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FTXQQDMQYIYPAN-FZMZJTMJSA-N

1 reference

(Q105001450)

(4S)-4-[(1S)-1,5-Dimethyl-3-oxohexyl]-3-oxo-1-cyclohexene-1-carboxylic acid methyl ester

Statements

Identifiers

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