(Q105112578)

English

dimethyl (2R)-2-[[(Z)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Dimethyl 2-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoylamino]pentanedioate

1 reference

based on heuristic

inferred from SMILES

mass

529.194796192 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

dimethyl (2R)-2-[[(E)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₁NO₁₀

0 references

canonical SMILES

COC(=O)CCC(NC(=O)C=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2)C(=O)OC

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isomeric SMILES

COC(=O)CC[C@@H](NC(=O)/C=C\c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2)C(=O)OC

0 references

found in taxon

Isatis quadrialata

1 reference

stated in

Dihydrobenzofuran lignans from Boreava orientalis

Identifiers

InChI

InChI=1S/C27H31NO10/c1-34-21-13-16(6-8-20(21)30)25-18(14-29)17-11-15(12-22(35-2)26(17)38-25)5-9-23(31)28-19(27(33)37-4)7-10-24(32)36-3/h5-6,8-9,11-13,18-19,25,29-30H,7,10,14H2,1-4H3,(H,28,31)/b9-5-/t18-,19-,25+/m1/s1

0 references

InChIKey

IGFXMUSMXRGTEH-YJFZTFQPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGFXMUSMXRGTEH-YJFZTFQPSA-N

(Q105112578)

dimethyl (2R)-2-[[(Z)-3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioate

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