(Q113960248)

English

[(2R,3R,4S,5R,6R)-5-(acetyloxy)-3-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

694.247285264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₁₆

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canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(OC)C(O)=C2)C(OC(=O)C)C(OC3OC(C)C(O)C(O)C3O)C1O)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2OC(C)=O)cc1O

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found in taxon

Isodon ternifolius

1 reference

stated in

Anti-inflammatory lignans and phenylethanoid glycosides from the root of Isodon ternifolius (D.Don) Kudô

Identifiers

InChI

InChI=1S/C33H42O16/c1-16-26(38)28(40)29(41)32(46-16)49-30-27(39)24(15-45-25(37)10-7-18-5-8-20(35)23(14-18)43-4)48-33(31(30)47-17(2)34)44-12-11-19-6-9-22(42-3)21(36)13-19/h5-10,13-14,16,24,26-33,35-36,38-41H,11-12,15H2,1-4H3/b10-7+/t16-,24+,26-,27+,28+,29+,30-,31+,32-,33+/m0/s1

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InChIKey

SVJNGTKUBPZCFP-HLTBEEIISA-N

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(Q113960248)

[(2R,3R,4S,5R,6R)-5-(acetyloxy)-3-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Identifiers

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