![#9;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-(METHOXYCARBONYL)-ETHYL]-AMIN](/api/spectrum/26m8Vo52LJc/structure.png?h=300&w=458 "#9;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-(METHOXYCARBONYL)-ETHYL]-AMIN")
| SpectraBase Compound ID | BUhLnJXyJvp |
|---|---|
| InChI | InChI=1S/C32H51N3O18S/c1-15(36)47-14-20-25(48-16(2)37)26(49-17(3)38)27(50-18(4)39)28(51-20)34-30(54)35(11-9-21(40)45-8)13-19-22(41)23(42)24(43)29(52-19)46-12-10-33-31(44)53-32(5,6)7/h19-20,22-29,41-43H,9-14H2,1-8H3,(H,33,44)(H,34,54)/t19-,20+,22-,23+,24+,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | LKVNIVVBVNPJHI-DECWQNIUSA-N |
| Mol Weight | 797.8 g/mol |
| Molecular Formula | C32H51N3O18S |
| Exact Mass | 797.288833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26m8Vo52LJc |
|---|---|
| Name | #9;2-TERT.-BUTYLOXYCARBONYLAMIDOETHYL-6-DEOXY-6-N-[(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOCARBAMOYL]-N-[2-(METHOXYCARBONYL)-ETHYL]-AMIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H51N3O18S |
| InChI | InChI=1S/C32H51N3O18S/c1-15(36)47-14-20-25(48-16(2)37)26(49-17(3)38)27(50-18(4)39)28(51-20)34-30(54)35(11-9-21(40)45-8)13-19-22(41)23(42)24(43)29(52-19)46-12-10-33-31(44)53-32(5,6)7/h19-20,22-29,41-43H,9-14H2,1-8H3,(H,33,44)(H,34,54)/t19-,20+,22-,23+,24+,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | LKVNIVVBVNPJHI-DECWQNIUSA-N |
| Literature Reference Author | A.PATEL,T.K.LINDHORST |
| Literature Reference Citation | J.ORG.CHEM.,66,2674(2001) |
| Literature Reference DOI | 10.1021/jo005671u |
| Molecular Weight | 797.826 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU26654 |