(Q105189592)

English

(2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3,6-bis(4-hydroxy-3,5-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

596.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,4R,5R,6S)-2-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₁₄

0 references

canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2OCC3(OC4OC(CO)C(O)C(O)C4O)C(OCC23)C5=CC(OC)=C(O)C(OC)=C5

0 references

isomeric SMILES

COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O

0 references

found in taxon

Stauntonia hexaphylla

1 reference

stated in

Bisepoxylignan glycosides from Stauntonia hexaphylla

Identifiers

InChI

InChI=1S/C28H36O14/c1-35-15-5-12(6-16(36-2)20(15)30)25-14-10-39-26(13-7-17(37-3)21(31)18(8-13)38-4)28(14,11-40-25)42-27-24(34)23(33)22(32)19(9-29)41-27/h5-8,14,19,22-27,29-34H,9-11H2,1-4H3/t14-,19-,22-,23+,24-,25-,26-,27+,28-/m1/s1

0 references

InChIKey

OCUPPIIMZPHETJ-SEOPNYRPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OCUPPIIMZPHETJ-SEOPNYRPSA-N

(Q105189592)

(2S,3R,4S,5S,6R)-2-[[(3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3,5-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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