(Q104937533)

English

[(2R,3S,4R,5R,6R)-2-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-[[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

786.258243872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₂₀

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canonical SMILES

O=C(OC1C(O)C(O)C(OCCC2=CC=C(O)C(O)=C2)OC1COC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Veronica turrilliana

1 reference

Phenylethanoids, iridoids and a spirostanol saponin from Veronica turrilliana

Identifiers

InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-/m0/s1

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BKESKOXPMZUPRR-MSUWPPSTSA-N

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2 references

15 September 2022

matched by identifier from

BKESKOXPMZUPRR-MSUWPPSTSA-N

UniChem compound ID

1 reference

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