(Q105344622)

English

(1R,2R)-1-(1,3-Benzodioxol-5-yl)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-(2H-1,3-benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(2H-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}propan-1-ol

1 reference

based on heuristic

inferred from SMILES

1-(1,3-Benzodioxol-5-yl)-2-[4-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

520.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S)-1-(1,3-benzodioxol-5-yl)-2-[4-[(2S,3R,4S,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

1 reference

1 reference

C₃₀H₃₂O₈

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canonical SMILES

OC(C1=CC=C2OCOC2=C1)C(OC3=CC=C(C=C3OC)C4OC(C5=CC=C6OCOC6=C5)C(C)C4C)C

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isomeric SMILES

COc1cc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)ccc1O[C@H](C)[C@H](O)c1ccc2c(c1)OCO2

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found in taxon

Saururus chinensis

1 reference

stated in

Lignans from the roots of Saururus chinensis

Identifiers

InChI

InChI=1S/C30H32O8/c1-16-17(2)30(21-6-9-23-27(13-21)36-15-34-23)38-29(16)20-7-10-24(25(12-20)32-4)37-18(3)28(31)19-5-8-22-26(11-19)35-14-33-22/h5-13,16-18,28-31H,14-15H2,1-4H3/t16-,17-,18-,28+,29+,30+/m1/s1

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InChIKey

XYQJFJKRYAIFAO-BDVHUIKKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYQJFJKRYAIFAO-BDVHUIKKSA-N

1 reference

(Q105344622)

(1R,2R)-1-(1,3-Benzodioxol-5-yl)-2-[4-[(2S,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol

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