(Q105284013)

English

CID 16174448

chemical compound

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Statements

type of chemical entity

0 references

3,4,5,24,25,26,32-heptahydroxy-8,18,29-trioxo-12,13-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17,22,30-pentaoxahexacyclo[17.13.0.0²,⁷.0¹⁰,¹⁵.0²¹,³¹.0²³,²⁸]dotriaconta-1(32),2(7),3,5,19,21(31),23,25,27-nonaen-11-yl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

1,088.097839624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₃₂O₃₀

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canonical SMILES

O=C1OC=2C(O)=C3C(=CC2OC4=C(O)C(O)=C(O)C=C14)C(=O)OCC5OC(OC(=O)C6=CC(O)=C(O)C(O)=C6)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C5OC(=O)C=9C=C(O)C(O)=C(O)C93

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isomeric SMILES

O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc4c(c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1O4)c1cc(O)c(O)c(O)c1

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Euphorbia prostrata

1 reference

Tannins and related polyphenols of euphorbiaceous plants. Part VI. Ellagitannin monomers and oligomers from Euphorbia prostrata Ait. and oligomers from Loropetalum chinense Oliv.

Identifiers

InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)57)42(65)76-40-39-26(73-48(78-44(67)13-5-21(53)31(59)22(54)6-13)41(40)77-43(66)12-3-19(51)30(58)20(52)4-12)10-71-45(68)15-9-25-38(74-47(70)16-8-24(56)33(61)36(64)37(16)72-25)35(63)28(15)27-14(46(69)75-39)7-23(55)32(60)34(27)62/h1-9,26,39-41,48-64H,10H2/t26-,39-,40+,41-,48+/m1/s1

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VCWZZBZQRXILFR-DQLQDYHGSA-N

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1 reference

15 September 2022

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