(Q105338854)

English

[4-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₄₁H₄₄O₁₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

840.247679188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₄O₁₉

0 references

canonical SMILES

O=C(OCC1OC(OC2OC(CO)C(O)C(O)C2O)(COC(=O)C=CC3=CC=C(O)C=C3)C(OC(=O)C=CC4=CC=C(O)C(OC)=C4)C1O)C=CC5=CC=C(O)C(OC)=C5

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found in taxon

Smilax glabra

1 reference

stated in

Cytotoxic phenylpropanoid glycosides from the stems of Smilax china

Identifiers

InChI

InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-15-32(46)55-20-31-36(50)39(58-34(48)16-9-24-6-13-27(45)29(18-24)54-2)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)14-7-22-3-10-25(43)11-4-22/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3

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InChIKey

XPMSXAVTDBNKAT-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XPMSXAVTDBNKAT-UHFFFAOYSA-N

(Q105338854)

[4-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

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