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| Standard English name | |
|---|---|
| Cas No. | 108449-60-1 |
| Alias | Vescalagin, 33-(3,4,5-trihydroxybenzoate), (33β)- |
| Canonical Smiles | OC1=C2C3C(=CC(O)=C(O)C=3O)C(=O)OCC3OC(=O)C4=CC(O)=C(O)C(O)=C4C4C5=C(C6=C7C(C(OC(=O)C8C=C(O)C(O)=C(O)C=8)C(OC7=O)C(OC5=O)C3OC(=O)C2=CC(O)=C1O)=C(O)C(O)=C6O)C(O)=C(O)C=4O |
| MDL No. | |
| Exact Mass | 1,086.08220 |
| Smiles | O=C(OC1C2=C(O)C(O)=C(O)C3=C2C(=O)OC1C4OC(=O)C=5C(=C(O)C(O)=C(O)C53)C6=C(O)C(O)=C(O)C=C6C(=O)OC7COC(=O)C8=CC(O)=C(O)C(O)=C8C9=C(O)C(O)=C(O)C=C9C(=O)OC74)C%10=CC(O)=C(O)C(O)=C%10 |
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| Inchi | InChI=1S/C48H30O30/c49-11-1-7(2-12(50)26(11)54)43(67)76-40-25-24-22(35(63)38(66)36(25)64)21-23-20(33(61)37(65)34(21)62)19-10(5-15(53)29(57)32(19)60)45(69)74-16-6-73-44(68)8-3-13(51)27(55)30(58)17(8)18-9(4-14(52)28(56)31(18)59)46(70)75-39(16)41(77-47(23)71)42(40)78-48(24)72/h1-5,16,39-42,49-66H,6H2 |
| InchiKey | JMGCAHRKIVCLFW-UHFFFAOYSA-N |
| Remark |
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Competitive price
Fast logistics
Technical support
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