![TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER](/api/spectrum/IZSXERcZN3K/structure.png?h=300&w=458 "TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER")
| SpectraBase Compound ID | 3Q35b2HrqqJ |
|---|---|
| InChI | InChI=1S/C48H58N2O10/c1-47(2,3)60-45(52)38-26-17-27-50(38)46(53)48(4,54)28-40(51)49-44-43(58-32-37-24-15-8-16-25-37)42(57-31-36-22-13-7-14-23-36)41(56-30-35-20-11-6-12-21-35)39(59-44)33-55-29-34-18-9-5-10-19-34/h5-16,18-25,38-39,41-44,54H,17,26-33H2,1-4H3,(H,49,51)/t38?,39-,41-,42+,43-,44-,48+/m1/s1 |
| InChIKey | YLUYFACLLANFAX-RVARRQNBSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C48H58N2O10 |
| Exact Mass | 822.409146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZSXERcZN3K |
|---|---|
| Name | TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER |
| Compound Number | 9D/2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H58N2O10 |
| InChI | InChI=1S/C48H58N2O10/c1-47(2,3)60-45(52)38-26-17-27-50(38)46(53)48(4,54)28-40(51)49-44-43(58-32-37-24-15-8-16-25-37)42(57-31-36-22-13-7-14-23-36)41(56-30-35-20-11-6-12-21-35)39(59-44)33-55-29-34-18-9-5-10-19-34/h5-16,18-25,38-39,41-44,54H,17,26-33H2,1-4H3,(H,49,51)/t38?,39-,41-,42+,43-,44-,48+/m1/s1 |
| InChIKey | YLUYFACLLANFAX-RVARRQNBSA-N |
| Literature Reference Author | C.BOETTCHER,J.SPENGLER,K.BURGER |
| Literature Reference Citation | MH.CHEM.,135,1225(2004) |
| Literature Reference DOI | 10.1007/s00706-004-0187-5 |
| Molecular Weight | 822.996 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ11938 |