(Q105344923)

English

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,6S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₂₄H₂₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

492.163161716 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₁₁

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canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O)C=CC=5C=CC=CC5

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isomeric SMILES

O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](OC2OC=C[C@@H]3C(O)C4OC4(CO)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Picrorhiza scrophulariiflora

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stated in

Counter-current chromatographic method for preparative scale isolation of picrosides from traditional Chinese medicine Picrorhiza scrophulariiflora

Identifiers

InChI

InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14+,16-,17?,18+,19-,20+,21?,22?,23-,24?/m0/s1

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InChIKey

XZGPUOQGERGURE-VLMIJVRDSA-N

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1 reference

2 January 2023

inferred from InChIKey

1 reference

(Q105344923)

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,6S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate

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