(Q104995854)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

614.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₂

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canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(OC)C=C(C=C2OC)C3OCC4C(OCC34)C5=CC(OC)=C(O)C(OC)=C5)CO

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isomeric SMILES

COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@H]3OC[C@@H]4[C@@H](c5cc(OC)c(O)c(OC)c5)OC[C@H]34)cc2OC)ccc1O

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found in taxon

Tarenna attenuata

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stated in

Mixed lignan-neolignans from Tarenna attenuata

Identifiers

InChI

InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)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+/m0/s1

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InChIKey

FITCDKVKQIBVRK-MDYMBHQLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FITCDKVKQIBVRK-MDYMBHQLSA-N

(Q104995854)

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

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Identifiers

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