![#45;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-[3,6-BIS-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO](/api/spectrum/8yOQdOvYOTC/structure.png?h=300&w=458 "#45;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-[3,6-BIS-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO")
| SpectraBase Compound ID | KnkYwarQzNF |
|---|---|
| InChI | InChI=1S/C82H119N13O46S6/c1-25(96)86-70-55(116)49(87-80(145)91-72-57(118)51(89-82(147)95-76-69(134-41(17)112)65(130-37(13)108)61(126-33(9)104)48(141-76)24-122-29(5)100)54(115)44(137-72)20-85-79(144)93-74-67(132-39(15)110)63(128-35(11)106)59(124-31(7)102)46(139-74)22-120-27(3)98)52(113)42(135-70)18-83-77(142)90-71-56(117)50(88-81(146)94-75-68(133-40(16)111)64(129-36(12)107)60(125-32(8)103)47(140-75)23-121-28(4)99)53(114)43(136-71)19-84-78(143)92-73-66(131-38(14)109)62(127-34(10)105)58(123-30(6)101)45(138-73)21-119-26(2)97/h42-76,113-118H,18-24H2,1-17H3,(H,86,96)(H2,83,90,142)(H2,84,92,143)(H2,85,93,144)(H2,87,91,145)(H2,88,94,146)(H2,89,95,147)/t42-,43+,44+,45-,46+,47+,48+,49+,50-,51-,52-,53+,54+,55-,56+,57+,58-,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,73-,74+,75+,76+/m0/s1 |
| InChIKey | MYLXEVWDMTZGQH-HWYXNKPMSA-N |
| Mol Weight | 2215.3 g/mol |
| Molecular Formula | C82H119N13O46S6 |
| Exact Mass | 2213.56964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yOQdOvYOTC |
|---|---|
| Name | #45;N-ACETYL-3,6-DIDEOXY-3,6-BIS-[3-[3,6-BIS-[3-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-THIOUREIDO]-3,6-DIDEOXY-BETA-D-GLUCOPYRANOSYL]-THIOUREIDO |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H119N13O46S6 |
| InChI | InChI=1S/C82H119N13O46S6/c1-25(96)86-70-55(116)49(87-80(145)91-72-57(118)51(89-82(147)95-76-69(134-41(17)112)65(130-37(13)108)61(126-33(9)104)48(141-76)24-122-29(5)100)54(115)44(137-72)20-85-79(144)93-74-67(132-39(15)110)63(128-35(11)106)59(124-31(7)102)46(139-74)22-120-27(3)98)52(113)42(135-70)18-83-77(142)90-71-56(117)50(88-81(146)94-75-68(133-40(16)111)64(129-36(12)107)60(125-32(8)103)47(140-75)23-121-28(4)99)53(114)43(136-71)19-84-78(143)92-73-66(131-38(14)109)62(127-34(10)105)58(123-30(6)101)45(138-73)21-119-26(2)97/h42-76,113-118H,18-24H2,1-17H3,(H,86,96)(H2,83,90,142)(H2,84,92,143)(H2,85,93,144)(H2,87,91,145)(H2,88,94,146)(H2,89,95,147)/t42-,43+,44+,45-,46+,47+,48+,49+,50-,51-,52-,53+,54+,55-,56+,57+,58-,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,73-,74+,75+,76+/m0/s1 |
| InChIKey | MYLXEVWDMTZGQH-HWYXNKPMSA-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 | 2215.266 g/mol |
| Sample ID | 42801 |
| Solvent | CD3OD |