(Q105382403)

English

(1R,2R)-2-[4-[(3R,3aS,6S,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

614.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₈O₁₂

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canonical SMILES

OC1=CC=C(C=C1OC)C2OCC3C(OCC23)C4=CC(OC)=C(OC(CO)C(O)C5=CC(OC)=C(O)C(OC)=C5)C(OC)=C4

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isomeric SMILES

COc1cc([C@@H]2OC[C@H]3[C@@H](c4cc(OC)c(O[C@H](CO)[C@H](O)c5cc(OC)c(O)c(OC)c5)c(OC)c4)OC[C@H]32)ccc1O

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found in taxon

Buddleja davidii

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stated in

Lignans and neolignans from Buddleja davidii

Identifiers

InChI

InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)30-19-14-43-31(20(19)15-42-30)18-11-25(40-4)32(26(12-18)41-5)44-27(13-33)28(35)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3/t19-,20-,27-,28-,30+,31-/m1/s1

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InChIKey

ZSBVEOAEUDMKIH-NDWSKMOUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZSBVEOAEUDMKIH-NDWSKMOUSA-N

(Q105382403)

(1R,2R)-2-[4-[(3R,3aS,6S,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

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