(Q104924734)

English

BDUNEEXSCSRFCR-GIRGNLGXSA-N

chemical compound

In more languages

Statements

type of chemical entity

0 references

8-[[6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl]oxycarbonyl]-3a,5,6-trihydroxy-3-oxo-2H-cyclopenta[b][1]benzofuran-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

924.086881016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₂₈O₂₆

0 references

canonical SMILES

O=C(O)C1=C2C=3C(OC2(O)C(=O)C1)=C(O)C(O)=CC3C(=O)OC4C(OC(=O)C5=CC(O)=C(O)C(O)=C5)OC6COC(=O)C=7C=C(O)C(O)=C(O)C7C8=C(O)C(O)=C(O)C=C8C(=O)OC4C6O

0 references

isomeric SMILES

O=C(O)C1=C2c3c(C(=O)O[C@H]4[C@H](OC(=O)c5cc(O)c(O)c(O)c5)O[C@@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)O[C@H]4[C@@H]5O)cc(O)c(O)c3O[C@]2(O)C(=O)C1

0 references

Pelargonium reniforme

1 reference

An ellagitannin, n-butyl gallate, two aryltetralin lignans, and an unprecedented diterpene ester from Pelargonium reniforme

Identifiers

InChI=1S/C40H28O26/c41-13-1-8(2-14(42)24(13)47)35(56)65-39-33(64-38(59)11-5-17(45)27(50)31-22(11)23-12(34(54)55)6-19(46)40(23,60)66-31)32-28(51)18(62-39)7-61-36(57)9-3-15(43)25(48)29(52)20(9)21-10(37(58)63-32)4-16(44)26(49)30(21)53/h1-5,18,28,32-33,39,41-45,47-53,60H,6-7H2,(H,54,55)/t18-,28-,32+,33-,39+,40-/m1/s1

0 references

BDUNEEXSCSRFCR-GIRGNLGXSA-N

0 references

2 references

15 September 2022

matched by identifier from

BDUNEEXSCSRFCR-GIRGNLGXSA-N

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