(Q105222417)

English

(2S)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-[6-O-[(E)-3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxymethyl]-4beta-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy]oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

728.268020708 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-[6-O-[(Z)-3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxymethyl]-4beta-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₄O₁₅

0 references

canonical SMILES

O=C(OCC1OC(OCC2C(OCC2CC3=CC=C(O)C(OC)=C3)C4=CC(OC)=C(O)C(OC)=C4)C(O)C(O)C1O)C=CC5=CC=C(O)C(OC)=C5

0 references

isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]3Cc3ccc(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

0 references

found in taxon

Asclepias curassavica

1 reference

stated in

New cardenolide and acylated lignan glycosides from the aerial parts of Asclepias curassavica

Identifiers

InChI

InChI=1S/C37H44O15/c1-45-26-12-19(5-8-24(26)38)7-10-31(40)49-18-30-33(42)34(43)35(44)37(52-30)51-17-23-22(11-20-6-9-25(39)27(13-20)46-2)16-50-36(23)21-14-28(47-3)32(41)29(15-21)48-4/h5-10,12-15,22-23,30,33-39,41-44H,11,16-18H2,1-4H3/b10-7+/t22-,23-,30+,33+,34-,35+,36+,37+/m0/s1

0 references

InChIKey

QIVBVEZLUWGMPA-CJBVJWGFSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

QIVBVEZLUWGMPA-CJBVJWGFSA-N

1 reference

(Q105222417)

(2S)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-[6-O-[(E)-3-(3-methoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyloxymethyl]-4beta-(3-methoxy-4-hydroxybenzyl)tetrahydrofuran

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