(Q105216484)

English

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[4-[(3S,3aS,6S,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4,5-Dihydroxy-2-[4-[3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

666.252370644 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₁₅

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C2OCC3C(OCC23)C4=CC=C(OC5OC(CO)C(O)C(O)C5OC6OC(C)C(O)C(O)C6O)C(OC)=C4

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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@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)c(OC)c4)OC[C@@H]23)ccc1O

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found in taxon

Hibiscus syriacus

1 reference

stated in

An antioxidant lignan and other constituents from the root bark of Hibiscus syriacus

Identifiers

InChI

InChI=1S/C32H42O15/c1-13-23(35)25(37)27(39)31(44-13)47-30-26(38)24(36)22(10-33)46-32(30)45-19-7-5-15(9-21(19)41-3)29-17-12-42-28(16(17)11-43-29)14-4-6-18(34)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16+,17+,22+,23-,24+,25+,26-,27+,28+,29+,30+,31-,32+/m0/s1

0 references

InChIKey

PXZGITHLKCRJQC-YTTJAVHXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXZGITHLKCRJQC-YTTJAVHXSA-N

(Q105216484)

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[4-[(3S,3aS,6S,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Statements

Identifiers

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