(Q105152700)

English

(2R,4S)-4-ethenyl-2-hydroxy-2-[(1R)-1-hydroxy-2-methylprop-2-enyl]-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-en-1-yl)-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one

1 reference

based on heuristic

inferred from SMILES

5'-epi-Isoethuliacoumarin A

1 reference

based on heuristic

inferred from SMILES

mass

342.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,4R)-4-ethenyl-2-hydroxy-2-[(1R)-1-hydroxy-2-methylprop-2-enyl]-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one

1 reference

1 reference

(2R,4R)-4-ethenyl-2-hydroxy-2-[(1S)-1-hydroxy-2-methylprop-2-enyl]-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₅

0 references

canonical SMILES

O=C1OC2=CC=CC(=C2C=3OC(O)(CC(C=C)(C13)C)C(O)C(=C)C)C

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isomeric SMILES

C=C[C@]1(C)C[C@](O)([C@H](O)C(=C)C)Oc2c1c(=O)oc1cccc(C)c21

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found in taxon

Ethulia conyzoides

1 reference

stated in

The Absolute and Relative Configuration of the Molluscicides Ethuliacoumarin A and Isoethuliacoumarin A.

Identifiers

InChI

InChI=1S/C20H22O5/c1-6-19(5)10-20(23,17(21)11(2)3)25-16-14-12(4)8-7-9-13(14)24-18(22)15(16)19/h6-9,17,21,23H,1-2,10H2,3-5H3/t17-,19-,20-/m1/s1

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InChIKey

LJPDNHJFYBWMCF-MISYRCLQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJPDNHJFYBWMCF-MISYRCLQSA-N

(Q105152700)

(2R,4S)-4-ethenyl-2-hydroxy-2-[(1R)-1-hydroxy-2-methylprop-2-enyl]-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one

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