![#27;METHYL-2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-2-ACETAMIDO-6-O-BENZYL-3-O-[(R)-1'-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOP](/api/spectrum/7gBhYgpqCCM/structure.png?h=300&w=458 "#27;METHYL-2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-2-ACETAMIDO-6-O-BENZYL-3-O-[(R)-1'-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOP")
| SpectraBase Compound ID | 8cHhKSnMoEP |
|---|---|
| InChI | InChI=1S/C41H50N2O13/c1-24(38(46)47)52-37-33(43-26(3)45)40(48-4)53-30(22-49-20-27-14-8-5-9-15-27)35(37)56-41-32(42-25(2)44)36(50-21-28-16-10-6-11-17-28)34-31(54-41)23-51-39(55-34)29-18-12-7-13-19-29/h5-19,24,30-37,39-41H,20-23H2,1-4H3,(H,42,44)(H,43,45)(H,46,47)/t24-,30+,31+,32+,33+,34+,35+,36+,37+,39+,40+,41-/m1/s1 |
| InChIKey | BTDFMZUQQOIUKE-KGVWMNGGSA-N |
| Mol Weight | 778.9 g/mol |
| Molecular Formula | C41H50N2O13 |
| Exact Mass | 778.33129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gBhYgpqCCM |
|---|---|
| Name | #27;METHYL-2-ACETAMIDO-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->4)-2-ACETAMIDO-6-O-BENZYL-3-O-[(R)-1'-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50N2O13 |
| InChI | InChI=1S/C41H50N2O13/c1-24(38(46)47)52-37-33(43-26(3)45)40(48-4)53-30(22-49-20-27-14-8-5-9-15-27)35(37)56-41-32(42-25(2)44)36(50-21-28-16-10-6-11-17-28)34-31(54-41)23-51-39(55-34)29-18-12-7-13-19-29/h5-19,24,30-37,39-41H,20-23H2,1-4H3,(H,42,44)(H,43,45)(H,46,47)/t24-,30+,31+,32+,33+,34+,35+,36+,37+,39+,40+,41-/m1/s1 |
| InChIKey | BTDFMZUQQOIUKE-KGVWMNGGSA-N |
| Literature Reference Author | D.HESEK,M.SUVOROV,K.MORIO,M.LEE,S.BROWN,S.B.VAKULENKO,S.MOBA SHERY |
| Literature Reference Citation | J.ORG.CHEM.,69,778(2004) |
| Literature Reference DOI | 10.1021/jo035397e |
| Molecular Weight | 778.854 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN21550 |