(Q105343954)

English

[(1R)-1-[(2S,3S)-3-acetyloxy-2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[3-Acetyloxy-2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R)-1-[(2S,3R)-3-acetyloxy-2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₀H₂₂O₆

0 references

canonical SMILES

O=CC(=C)C1OC2=CC=C(C=C2C1OC(=O)C)C(OC(=O)C(=CC)C)C

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isomeric SMILES

C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C/C)cc2[C@@H]1OC(C)=O

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found in taxon

Pentatrichia integra

1 reference

stated in

Leysseral derivatives from Anisothrix integra and Phagnalon Purpurescens

Identifiers

InChI

InChI=1S/C20H22O6/c1-6-11(2)20(23)24-13(4)15-7-8-17-16(9-15)19(25-14(5)22)18(26-17)12(3)10-21/h6-10,13,18-19H,3H2,1-2,4-5H3/b11-6+/t13-,18+,19+/m1/s1

0 references

InChIKey

XXCQISRHXYIMSQ-KUGLORBOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXCQISRHXYIMSQ-KUGLORBOSA-N

(Q105343954)

[(1R)-1-[(2S,3S)-3-acetyloxy-2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl] (E)-2-methylbut-2-enoate

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Identifiers

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