(Q105203089)

English

CID 16174834

group of stereoisomers with the chemical formula C₄₈H₃₂O₃₁

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Statements

group of stereoisomers

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chemical compound

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1,104.751 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₃₂O₃₁

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canonical SMILES

O=C(O)C1=CC(O)=C(O)C(O)=C1OC=2C=C3C(=O)OCC4OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C6OC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C=C8C(=O)OC6C4OC(=O)C9=CC(O)=C(O)C(O)=C9C3=C(O)C2O

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1 reference

Hydrolysable Tannins Isolated from Syzygium aromaticum: Structure of a New C-Glucosidic Ellagitannin and Spectral Features of Tannins with a Tergalloyl Group

Terminalia calamansanai

1 reference

Tannins and related compounds. CIII. Isolation and characterization of new monomeric, dimeric and trimeric ellagitannins, calamansanin and calamanins A, B and C, from Terminalia calamansanai (Blanco) Rolfe.

Identifiers

InChI=1S/C48H32O31/c49-15-1-9(2-16(50)27(15)55)43(68)79-48-41-40(77-46(71)11-4-18(52)28(56)33(61)23(11)24-12(47(72)78-41)5-19(53)29(57)34(24)62)39-22(75-48)8-73-44(69)13-7-21(74-38-14(42(66)67)6-20(54)31(59)37(38)65)32(60)36(64)26(13)25-10(45(70)76-39)3-17(51)30(58)35(25)63/h1-7,22,39-41,48-65H,8H2,(H,66,67)

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OYARBSAMUGUQJW-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

OYARBSAMUGUQJW-UHFFFAOYSA-N

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