![#32;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/6yU597dUhEE/structure.png?h=300&w=458 "#32;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 | 122HdZhxzPY |
|---|---|
| InChI | InChI=1S/C81H98N4O25/c1-47(75(90)91)101-73-65(84-51(5)88)78(94-7)103-60(44-96-39-54-28-16-9-17-29-54)69(73)109-79-63(82-49(3)86)71(98-41-56-32-20-11-21-33-56)67(59(104-79)43-95-38-53-26-14-8-15-27-53)108-81-66(85-52(6)89)74(102-48(2)76(92)93)70(61(105-81)45-97-40-55-30-18-10-19-31-55)110-80-64(83-50(4)87)72(99-42-57-34-22-12-23-35-57)68-62(106-80)46-100-77(107-68)58-36-24-13-25-37-58/h8-37,47-48,59-74,77-81H,38-46H2,1-7H3,(H,82,86)(H,83,87)(H,84,88)(H,85,89)(H,90,91)(H,92,93)/t47-,48+,59+,60+,61-,62+,63+,64+,65+,66-,67+,68+,69+,70-,71+,72+,73+,74-,77?,78+,79-,80-,81+/m1/s1 |
| InChIKey | SUODMEUAFFARTK-TUXRLTCJSA-N |
| Mol Weight | 1527.7 g/mol |
| Molecular Formula | C81H98N4O25 |
| Exact Mass | 1526.652015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yU597dUhEE |
|---|---|
| Name | #32;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 | C81H98N4O25 |
| InChI | InChI=1S/C81H98N4O25/c1-47(75(90)91)101-73-65(84-51(5)88)78(94-7)103-60(44-96-39-54-28-16-9-17-29-54)69(73)109-79-63(82-49(3)86)71(98-41-56-32-20-11-21-33-56)67(59(104-79)43-95-38-53-26-14-8-15-27-53)108-81-66(85-52(6)89)74(102-48(2)76(92)93)70(61(105-81)45-97-40-55-30-18-10-19-31-55)110-80-64(83-50(4)87)72(99-42-57-34-22-12-23-35-57)68-62(106-80)46-100-77(107-68)58-36-24-13-25-37-58/h8-37,47-48,59-74,77-81H,38-46H2,1-7H3,(H,82,86)(H,83,87)(H,84,88)(H,85,89)(H,90,91)(H,92,93)/t47-,48+,59+,60+,61-,62+,63+,64+,65+,66-,67+,68+,69+,70-,71+,72+,73+,74-,77?,78+,79-,80-,81+/m1/s1 |
| InChIKey | SUODMEUAFFARTK-TUXRLTCJSA-N |
| Literature Reference Author | D.HESEK,M.LEE,K.I.MORIO,S.MOBASHERY |
| Literature Reference Citation | J.ORG.CHEM.,69,2137(2004) |
| Literature Reference DOI | 10.1021/jo035583k |
| Molecular Weight | 1527.681 g/mol |
| Solvent | CDCl3:CD3OD=95:5 |
| Source File Reference | UWVN21963 |