![METHYL-6-DEOXY-6-[3-[5-[N-BIS-(TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRANOSIDE](/api/spectrum/8mwadmYeRNs/structure.png?h=300&w=458 "METHYL-6-DEOXY-6-[3-[5-[N-BIS-(TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 1m7pskdL720 |
|---|---|
| InChI | InChI=1S/C27H51N5O10S/c1-26(2,3)41-24(37)30-13-16(14-31-25(38)42-27(4,5)6)32-18(33)11-9-8-10-12-28-23(43)29-15-17-19(34)20(35)21(36)22(39-7)40-17/h16-17,19-22,34-36H,8-15H2,1-7H3,(H,30,37)(H,31,38)(H,32,33)(H2,28,29,43)/t17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | ABGSOJYDUXEDHK-VOFPXKNKSA-N |
| Mol Weight | 637.8 g/mol |
| Molecular Formula | C27H51N5O10S |
| Exact Mass | 637.335664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mwadmYeRNs |
|---|---|
| Name | METHYL-6-DEOXY-6-[3-[5-[N-BIS-(TERT.-BUTOXYCARBONYLAMINOMETHYL)-METHYL]-CARBAMOYLPENTYL]-THIOUREIDO]-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 48 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H51N5O10S |
| InChI | InChI=1S/C27H51N5O10S/c1-26(2,3)41-24(37)30-13-16(14-31-25(38)42-27(4,5)6)32-18(33)11-9-8-10-12-28-23(43)29-15-17-19(34)20(35)21(36)22(39-7)40-17/h16-17,19-22,34-36H,8-15H2,1-7H3,(H,30,37)(H,31,38)(H,32,33)(H2,28,29,43)/t17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | ABGSOJYDUXEDHK-VOFPXKNKSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 637.789 g/mol |
| Sample ID | 27890 |
| Solvent | CD3OD |