(Q105209670)

English

(4S,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-2,6-dimethylocta-1,6-dien-4-ol

chemical compound

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instance of

type of chemical entity

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subclass of

8-[4-(3-Hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-1,6-dien-4-ol

1 reference

based on heuristic

inferred from SMILES

(6E)-8-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-2,6-dimethylocta-1,6-dien-4-ol

1 reference

based on heuristic

inferred from SMILES

mass

362.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,6Z)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-2,6-dimethylocta-1,6-dien-4-ol

1 reference

based on heuristic

inferred from InChI

(4R,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-2,6-dimethylocta-1,6-dien-4-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₅

0 references

canonical SMILES

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

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isomeric SMILES

C=C(C)C[C@H](O)C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC

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found in taxon

Ligularia nelumbifolia

2 references

stated in

Syntheses of two cytotoxic sinapyl alcohol derivatives and isolation of four new related compounds from Ligularia nelumbifolia

stated in

Syntheses of two cytotoxic sinapyl alcohol derivatives and isolation of four new related compounds from Ligularia nelumbifolia

Identifiers

InChI

InChI=1S/C21H30O5/c1-15(2)11-18(23)12-16(3)8-10-26-21-19(24-4)13-17(7-6-9-22)14-20(21)25-5/h6-8,13-14,18,22-23H,1,9-12H2,2-5H3/b7-6+,16-8+/t18-/m0/s1

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InChIKey

PIRMSMJKOZAZOF-NRMWUCRASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PIRMSMJKOZAZOF-NRMWUCRASA-N

1 reference

(Q105209670)

(4S,6E)-8-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-2,6-dimethylocta-1,6-dien-4-ol

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Identifiers

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