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| Standard English name | |
|---|---|
| Cas No. | 81739-27-7 |
| Alias | 11-De(6-carboxy-2,3,4-trihydroxyphenyl)-16,18-dideoxy-16,18-[(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)bis(carbonyloxy)]neovescalin 17-(3,4,5-trihydroxybenzoate) |
| Canonical Smiles | OC1C2OC(=O)C3=C1C(O)=C(O)C(O)=C3C1C(=CC(O)=C(O)C=1O)C(=O)OC2C1OC(=O)C2=CC(O)=C(O)C(O)=C2C2C(=CC(O)=C(O)C=2O)C(=O)OCC1OC(=O)C1C=C(O)C(O)=C(O)C=1 |
| MDL No. | |
| Exact Mass | 936.08689 |
| Smiles | O=C1OCC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3C4=C(O)C(O)=C(O)C=C14)C5OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C8=C7C(=O)OC5C8O |
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| Inchi | InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2 |
| InchiKey | MMQXBTULXAEKQE-UHFFFAOYSA-N |
| Remark |
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