(Q105119522)

English

[(1S)-1-[(2S,3S)-3-acetyloxy-2-(3-methoxy-3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl] (Z)-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-methoxy-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

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S)-1-[(2S,3S)-3-acetyloxy-2-(3-methoxy-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 InChI

chemical formula

C₂₁H₂₄O₇

0 references

canonical SMILES

O=C(OC)C(=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)OC)[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/C21H24O7/c1-7-11(2)20(23)26-13(4)15-8-9-17-16(10-15)19(27-14(5)22)18(28-17)12(3)21(24)25-6/h7-10,13,18-19H,3H2,1-2,4-6H3/b11-7-/t13-,18-,19-/m0/s1

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InChIKey

ISHULZYKQRCMJB-RMXAZNPLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISHULZYKQRCMJB-RMXAZNPLSA-N

(Q105119522)

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

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