(Q105216644)

English

(3S,4S)-4-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

536.204632604 dalton

1 reference

1 reference

C₃₀H₃₂O₉

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canonical SMILES

O=C1OCC(CC2=CC(OC)=C3OC(C4=CC=C(O)C(OC)=C4)C(C3=C2)CO)C1CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2ccc(O)c(OC)c2)O3)ccc1O

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found in taxon

Arctium lappa

1 reference

stated in

Lappaol A and B, novel lignans from Arctium lappa L

Identifiers

InChI

InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m1/s1

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InChIKey

PYLYQTVVQXPBIJ-RBUVOKAISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYLYQTVVQXPBIJ-RBUVOKAISA-N

(Q105216644)

(3S,4S)-4-[[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Statements

Identifiers

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