(Q105223036)

English

3',4',6'-Tri-Oferuloylsucrose

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

870.258243872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₆O₂₀

0 references

canonical SMILES

O=C(OCC1OC(OC2OC(CO)C(O)C(O)C2O)(CO)C(OC(=O)C=CC3=CC=C(O)C(OC)=C3)C1OC(=O)C=CC4=CC=C(O)C(OC)=C4)C=CC5=CC=C(O)C(OC)=C5

0 references

isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

0 references

1 reference

Steroidal glycosides and aromatic compounds from Smilax riparia

Identifiers

InChI=1S/C42H46O20/c1-54-28-16-22(4-10-25(28)45)7-13-33(48)57-20-32-39(59-34(49)14-8-23-5-11-26(46)29(17-23)55-2)40(60-35(50)15-9-24-6-12-27(47)30(18-24)56-3)42(21-44,61-32)62-41-38(53)37(52)36(51)31(19-43)58-41/h4-18,31-32,36-41,43-47,51-53H,19-21H2,1-3H3/b13-7+,14-8+,15-9+/t31-,32-,36-,37+,38-,39-,40+,41-,42+/m1/s1

0 references

QKDVORUGRIVQPJ-XHEFJOTBSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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