(Q105116040)

English

[(1S,19R,21S,22R,23R)-5,6,7,8,11,12,13,14-octahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaen-23-yl] 3,4,5-trihydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[5,6,7,8,11,12,13,14-Octahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaen-23-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

970.09236032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₃₀O₂₈

0 references

canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C=5C(O)=C(O)C(O)=C(O)C5C=6C(O)=C(O)C(O)=C(O)C16)C2OC(=O)C7=CC(O)=C(O)C(O)=C7

0 references

isomeric SMILES

O=C(O[C@@H]1O[C@@H]2COC(=O)c3c(O)c(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(O)c3C(=O)O[C@H]([C@H]1OC(=O)c1cc(O)c(O)c(O)c1)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

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Punica granatum

1 reference

NMR spectral analysis of polyphenols from Punica granatum

Identifiers

InChI=1S/C41H30O28/c42-11-1-8(2-12(43)22(11)48)36(59)66-33-17-7-64-39(62)20-18(25(51)29(55)31(57)27(20)53)19-21(28(54)32(58)30(56)26(19)52)40(63)67-34(33)35(68-37(60)9-3-13(44)23(49)14(45)4-9)41(65-17)69-38(61)10-5-15(46)24(50)16(47)6-10/h1-6,17,33-35,41-58H,7H2/t17-,33-,34+,35-,41+/m1/s1

0 references

INAAWUYFPBBBCN-OTRJOQGQSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

INAAWUYFPBBBCN-OTRJOQGQSA-N

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