(Q105165799)

English

(2R,3S,4R,5S,6S)-2-[4-[(3R,3aS,6R,6aS)-6-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-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-[6-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-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

chemical formula

C₂₈H₃₆O₁₄

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2(O)OCC3C(OCC32)C4=CC(OC)=C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4

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isomeric SMILES

COc1cc([C@]2(O)OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(OC)c2)cc(OC)c1O

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found in taxon

Acanthus ebracteatus

1 reference

stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

Magnolia grandiflora

1 reference

stated in

A guaianolide from Magnolia grandiflora

Identifiers

InChI

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

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InChIKey

MKANRUKEQFCARD-OAXFWIDISA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105165799)

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

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