(Q104978965)

English

(2R)-2-[3,5-Dimethoxy-4-[(1S,2R)-1-(hydroxymethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]phenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-3beta-methanol

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

1-(4-hydroxy-3-methoxyphenyl)-2-{4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

586.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₁₁

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=C(OC)C=C(C=C2OC)C3OC4=C(OC)C=C(C=C4C3CO)CCCO)CO

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isomeric SMILES

COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3Oc4c(OC)cc(CCCO)cc4[C@@H]3CO)cc2OC)ccc1O

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found in taxon

Acer nikoense

1 reference

stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of Acer nikoense.

Parthenocissus tricuspidata

1 reference

stated in

Medicinal foodstuffs. XXXI. Structures of new aromatic constituents and inhibitors of degranulation in RBL-2H3 cells from a Japanese folk medicine, the stem bark of Acer nikoense.

Identifiers

InChI

InChI=1S/C31H38O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h7-8,10-14,21,27-29,32-36H,5-6,9,15-16H2,1-4H3/t21-,27-,28+,29-/m0/s1

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InChIKey

DGPBJIHDSVVJQC-AOLGVVFKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104978965)

(2R)-2-[3,5-Dimethoxy-4-[(1S,2R)-1-(hydroxymethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]phenyl]-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-3beta-methanol

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