(Q105350571)

English

(2S,3R,4S,5S,6R)-2-[4-[[(2R,3S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]methyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[4-[[5-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]methyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

582.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₁₃

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2OC(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3)C(CO)C2

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isomeric SMILES

COc1cc([C@@H]2C[C@@H](CO)[C@@H](Cc3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)O2)cc(OC)c1O

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found in taxon

Pedicularis torta

1 reference

stated in

Lignan, phenylpropanoid and iridoid glycosides from Pedicularis torta

Identifiers

InChI

InChI=1S/C28H38O13/c1-35-18-8-14(9-19(36-2)23(18)31)17-10-15(11-29)16(39-17)5-13-6-20(37-3)27(21(7-13)38-4)41-28-26(34)25(33)24(32)22(12-30)40-28/h6-9,15-17,22,24-26,28-34H,5,10-12H2,1-4H3/t15-,16+,17-,22+,24+,25-,26+,28-/m0/s1

0 references

InChIKey

YMJYTRFMAYUANR-BNBWYUFRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105350571)

(2S,3R,4S,5S,6R)-2-[4-[[(2R,3S,5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)oxolan-2-yl]methyl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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