(Q104967027)

English

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-[3-methoxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-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-[4-[3a-hydroxy-3-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

698.242199884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₁₇

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canonical SMILES

OCC1OC(OC2=CC=C(C=C2OC)C3OCC4(O)C(OCC34)C5=CC=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5)C(O)C(O)C1O

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isomeric SMILES

COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(OC)c4)OC[C@]23O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

0 references

found in taxon

Eucommia ulmoides

1 reference

stated in

Inhibition of adenosine 3',5'-cyclic monophosphate phosphodiesterase by lignan glucosides of Eucommia bark

Identifiers

InChI

InChI=1S/C32H42O17/c1-42-18-7-13(3-5-16(18)46-30-26(39)24(37)22(35)20(9-33)48-30)28-15-11-44-29(32(15,41)12-45-28)14-4-6-17(19(8-14)43-2)47-31-27(40)25(38)23(36)21(10-34)49-31/h3-8,15,20-31,33-41H,9-12H2,1-2H3/t15-,20-,21-,22-,23-,24+,25+,26-,27+,28-,29-,30-,31-,32-/m1/s1

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InChIKey

COHZMNDRCLPQIO-KPVDGCIASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

COHZMNDRCLPQIO-KPVDGCIASA-N

(Q104967027)

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-hydroxy-3-[3-methoxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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