(Q105159783)

English

(3R,4S,5S,6R)-2-[3-hydroxy-5-[(2S,3S)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₀H₄₂O₁₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

778.247285264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₂O₁₆

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canonical SMILES

OC1=CC=C(C=C1)C=CC=2C=C(OC3OC(CO)C(O)C(O)C3O)C=C4OC(C5=CC=C(O)C=C5)C(C=6C=C(O)C=C(OC7OC(CO)C(O)C(O)C7O)C6)C42

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isomeric SMILES

OC[C@@H]1OC(Oc2cc(/C=C/c3ccc(O)cc3)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Iris tingitana

1 reference

stated in

Stilbene glucosides from the bulbs of Iris tingitana

Identifiers

InChI

InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-13-21(11-24(45)14-25)31-30-20(4-1-18-2-7-22(43)8-3-18)12-26(53-40-37(51)35(49)33(47)29(17-42)56-40)15-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+/t28-,29+,31+,32-,33+,34+,35-,36-,37+,38-,39?,40?/m1/s1

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InChIKey

LZDBTSVRCPFSKK-JRHPLFMDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZDBTSVRCPFSKK-JRHPLFMDSA-N

(Q105159783)

(3R,4S,5S,6R)-2-[3-hydroxy-5-[(2S,3S)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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