![TRIS-[2-[3'-[2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-(2'''-AZIPROPYLTHIOUREIDO)-ALPHA-D-MANNOPYRANOSYL]-THIOUREIDO]-ETHYL]-AMINE](/api/spectrum/6NFpOomM4Mj/structure.png?h=300&w=458 "TRIS-[2-[3'-[2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-(2'''-AZIPROPYLTHIOUREIDO)-ALPHA-D-MANNOPYRANOSYL]-THIOUREIDO]-ETHYL]-AMINE")
| SpectraBase Compound ID | 3y7hchW85m5 |
|---|---|
| InChI | InChI=1S/C57H87N19O21S6/c1-25(77)86-37-34(19-61-49(98)64-22-55(10)70-71-55)95-46(43(92-31(7)83)40(37)89-28(4)80)67-52(101)58-13-16-76(17-14-59-53(102)68-47-44(93-32(8)84)41(90-29(5)81)38(87-26(2)78)35(96-47)20-62-50(99)65-23-56(11)72-73-56)18-15-60-54(103)69-48-45(94-33(9)85)42(91-30(6)82)39(88-27(3)79)36(97-48)21-63-51(100)66-24-57(12)74-75-57/h34-48H,13-24H2,1-12H3,(H2,58,67,101)(H2,59,68,102)(H2,60,69,103)(H2,61,64,98)(H2,62,65,99)(H2,63,66,100)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | JBEGWXJPPLYPBU-UFBAVVKGSA-N |
| Mol Weight | 1566.8 g/mol |
| Molecular Formula | C57H87N19O21S6 |
| Exact Mass | 1565.464818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NFpOomM4Mj |
|---|---|
| Name | TRIS-[2-[3'-[2'',3'',4''-TRI-O-ACETYL-6''-DEOXY-6''-(2'''-AZIPROPYLTHIOUREIDO)-ALPHA-D-MANNOPYRANOSYL]-THIOUREIDO]-ETHYL]-AMINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H87N19O21S6 |
| InChI | InChI=1S/C57H87N19O21S6/c1-25(77)86-37-34(19-61-49(98)64-22-55(10)70-71-55)95-46(43(92-31(7)83)40(37)89-28(4)80)67-52(101)58-13-16-76(17-14-59-53(102)68-47-44(93-32(8)84)41(90-29(5)81)38(87-26(2)78)35(96-47)20-62-50(99)65-23-56(11)72-73-56)18-15-60-54(103)69-48-45(94-33(9)85)42(91-30(6)82)39(88-27(3)79)36(97-48)21-63-51(100)66-24-57(12)74-75-57/h34-48H,13-24H2,1-12H3,(H2,58,67,101)(H2,59,68,102)(H2,60,69,103)(H2,61,64,98)(H2,62,65,99)(H2,63,66,100)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1 |
| InChIKey | JBEGWXJPPLYPBU-UFBAVVKGSA-N |
| Literature Reference Author | M.WALTER,M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,719(2006) |
| Molecular Weight | 1566.792 g/mol |
| Sample ID | 43186 |
| Solvent | ACETONE-D6 |