(Q105160496)

English

6-[2-[(1S,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]ethyl]naphthalene-1,4-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[2-(1,2,6-Trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

324.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-[2-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]ethyl]naphthalene-1,4-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₃

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canonical SMILES

O=C1C=CC(=O)C2=CC(=CC=C12)CCC3(C)C(C(=O)CCC3C)C

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isomeric SMILES

C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O

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found in taxon

Cordia corymbosa

1 reference

stated in

Meroterpenoid naphthoquinones from Cordia corymbosa

Varronia polycephala

1 reference

stated in

Meroterpenoid naphthoquinones from Cordia corymbosa

Varronia linnaei

1 reference

stated in

Antifungal and larvicidal meroterpenoid naphthoquinones and a naphthoxirene from the roots of Cordia linnaei

Identifiers

InChI

InChI=1S/C21H24O3/c1-13-4-7-18(22)14(2)21(13,3)11-10-15-5-6-16-17(12-15)20(24)9-8-19(16)23/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3/t13-,14+,21+/m1/s1

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InChIKey

MASRYVQKFOORHS-YPENRWOSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MASRYVQKFOORHS-YPENRWOSSA-N

1 reference

(Q105160496)

6-[2-[(1S,2R,6R)-1,2,6-trimethyl-3-oxo-cyclohexyl]ethyl]naphthalene-1,4-dione

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Identifiers

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