(Q105213368)

English

(2S,3S,5S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₈H₃₈O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

582.2312412759999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₈O₁₃

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(CO)C2COC4OC(CO)C(O)C(O)C4O

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isomeric SMILES

COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cc(OC)c1O

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Identifiers

InChI

InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19?,20+,23+,25?,26-,28-/m0/s1

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InChIKey

PQQRNPDHSJDAGV-BVDVCCPJSA-N

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PubChem CID

162939862

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PQQRNPDHSJDAGV-BVDVCCPJSA-N

(Q105213368)

(2S,3S,5S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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