![#46;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-[3,6-BIS-[N'-(BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOS](/api/spectrum/CtJQMXY7l1B/structure.png?h=300&w=458 "#46;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-[3,6-BIS-[N'-(BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOS")
| SpectraBase Compound ID | JMDxPxuxA5X |
|---|---|
| InChI | InChI=1S/C50H87N13O30S6/c1-9(68)54-38-27(76)17(55-48(97)61-40-29(78)19(57-50(99)63-44-37(86)33(82)26(75)16(8-67)93-44)22(71)12(89-40)4-53-47(96)60-42-35(84)31(80)24(73)14(6-65)91-42)20(69)10(87-38)2-51-45(94)58-39-28(77)18(56-49(98)62-43-36(85)32(81)25(74)15(7-66)92-43)21(70)11(88-39)3-52-46(95)59-41-34(83)30(79)23(72)13(5-64)90-41/h10-44,64-67,69-86H,2-8H2,1H3,(H,54,68)(H2,51,58,94)(H2,52,59,95)(H2,53,60,96)(H2,55,61,97)(H2,56,62,98)(H2,57,63,99)/t10-,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | GWPJZGFKYOWYFL-QWFLPSRISA-N |
| Mol Weight | 1542.7 g/mol |
| Molecular Formula | C50H87N13O30S6 |
| Exact Mass | 1541.400605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtJQMXY7l1B |
|---|---|
| Name | #46;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[N'-[3,6-BIS-[N'-(BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO]-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H87N13O30S6 |
| InChI | InChI=1S/C50H87N13O30S6/c1-9(68)54-38-27(76)17(55-48(97)61-40-29(78)19(57-50(99)63-44-37(86)33(82)26(75)16(8-67)93-44)22(71)12(89-40)4-53-47(96)60-42-35(84)31(80)24(73)14(6-65)91-42)20(69)10(87-38)2-51-45(94)58-39-28(77)18(56-49(98)62-43-36(85)32(81)25(74)15(7-66)92-43)21(70)11(88-39)3-52-46(95)59-41-34(83)30(79)23(72)13(5-64)90-41/h10-44,64-67,69-86H,2-8H2,1H3,(H,54,68)(H2,51,58,94)(H2,52,59,95)(H2,53,60,96)(H2,55,61,97)(H2,56,62,98)(H2,57,63,99)/t10-,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22-,23+,24+,25+,26-,27-,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40-,41+,42+,43+,44-/m1/s1 |
| InChIKey | GWPJZGFKYOWYFL-QWFLPSRISA-N |
| Literature Reference Author | J.L.J.BLANCO,P.BOOTELLO,C.O.MELLET,J.M.G.FERNANDEZ |
| Literature Reference Citation | EUR.J.ORG.CHEM.,183(2006) |
| Molecular Weight | 1542.670 g/mol |
| Sample ID | 42802 |
| Solvent | D2O |