(Q105142118)

English

2-[(1R,2S)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

372.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7,8-Secoholistylone A

1 reference

based on heuristic

inferred from InChI

2-[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₆

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canonical SMILES

O=CC1=CC(OC)=C(O)C=C1C(C2=CC=C(OC)C(OC)=C2)C(C(=O)C)C

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isomeric SMILES

COc1cc(C=O)c([C@@H](c2ccc(OC)c(OC)c2)[C@H](C)C(C)=O)cc1O

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found in taxon

Aristolochia holostylis

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stated in

Aryltetralone lignans and 7,8-seco-lignans from Holostylis reniformis

Identifiers

InChI

InChI=1S/C21H24O6/c1-12(13(2)23)21(14-6-7-18(25-3)20(8-14)27-5)16-10-17(24)19(26-4)9-15(16)11-22/h6-12,21,24H,1-5H3/t12-,21-/m1/s1

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InChIKey

KKCASOTYIFBECW-XUSGNXJCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKCASOTYIFBECW-XUSGNXJCSA-N

1 reference

NMRShiftDB structure ID

20025520

1 reference

matched by identifier from

InChIKey

KKCASOTYIFBECW-XUSGNXJCSA-N

(Q105142118)

2-[(1R,2S)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde

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