![#C6;TRIS-[2-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-ETHYL]-AMIN](/api/spectrum/Ct55n40j58y/structure.png?h=300&w=458 "#C6;TRIS-[2-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-ETHYL]-AMIN")
| SpectraBase Compound ID | 89oeDZbvo9w |
|---|---|
| InChI | InChI=1S/C63H102N16O33/c1-25(86)64-40-49(95)46(92)34(16-80)104-61(40)110-55-37(19-83)107-58(43(52(55)98)67-28(4)89)101-22-31-13-77(73-70-31)10-7-76(8-11-78-14-32(71-74-78)23-102-59-44(68-29(5)90)53(99)56(38(20-84)108-59)111-62-41(65-26(2)87)50(96)47(93)35(17-81)105-62)9-12-79-15-33(72-75-79)24-103-60-45(69-30(6)91)54(100)57(39(21-85)109-60)112-63-42(66-27(3)88)51(97)48(94)36(18-82)106-63/h13-15,34-63,80-85,92-100H,7-12,16-24H2,1-6H3,(H,64,86)(H,65,87)(H,66,88)(H,67,89)(H,68,90)(H,69,91)/t34-,35-,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59+,60-,61+,62+,63-/m1/s1 |
| InChIKey | IWZQXBUKNWSIHD-BUDQYKCASA-N |
| Mol Weight | 1611.6 g/mol |
| Molecular Formula | C63H102N16O33 |
| Exact Mass | 1610.67952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ct55n40j58y |
|---|---|
| Name | #C6;TRIS-[2-[4-[2-ACETAMIDO-2-DEOXY-4-O-(2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]-1H-1,2,3-TRIAZOLE-1-YL]-ETHYL]-AMIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102N16O33 |
| InChI | InChI=1S/C63H102N16O33/c1-25(86)64-40-49(95)46(92)34(16-80)104-61(40)110-55-37(19-83)107-58(43(52(55)98)67-28(4)89)101-22-31-13-77(73-70-31)10-7-76(8-11-78-14-32(71-74-78)23-102-59-44(68-29(5)90)53(99)56(38(20-84)108-59)111-62-41(65-26(2)87)50(96)47(93)35(17-81)105-62)9-12-79-15-33(72-75-79)24-103-60-45(69-30(6)91)54(100)57(39(21-85)109-60)112-63-42(66-27(3)88)51(97)48(94)36(18-82)106-63/h13-15,34-63,80-85,92-100H,7-12,16-24H2,1-6H3,(H,64,86)(H,65,87)(H,66,88)(H,67,89)(H,68,90)(H,69,91)/t34-,35-,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46-,47-,48+,49-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59+,60-,61+,62+,63-/m1/s1 |
| InChIKey | IWZQXBUKNWSIHD-BUDQYKCASA-N |
| Literature Reference Author | H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,819(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.91 |
| Molecular Weight | 1611.590 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR10914 |