(Q105194171)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

548.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₁₃

0 references

canonical SMILES

OCC1OC(O)C(O)C(O)C1OC2OC(C3=CC=C4OCOC4=C3)C5(O)COC(C6=CC=C7OCOC7=C6)C25

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isomeric SMILES

OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](c2ccc3c(c2)OCO3)[C@@]2(O)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12

0 references

found in taxon

Gmelina arborea

1 reference

stated in

Novel hydroxy lignans from the heartwood of gmelina arborea

Identifiers

InChI

InChI=1S/C26H28O13/c27-7-17-22(19(28)20(29)24(30)37-17)38-25-18-21(11-1-3-13-15(5-11)35-9-33-13)32-8-26(18,31)23(39-25)12-2-4-14-16(6-12)36-10-34-14/h1-6,17-25,27-31H,7-10H2/t17-,18+,19-,20-,21-,22-,23-,24-,25+,26-/m1/s1

0 references

InChIKey

OLWYIRWEJGBJFE-JNBNCJMSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OLWYIRWEJGBJFE-JNBNCJMSSA-N

(Q105194171)

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

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