![#1A;BENZYL-O-[(3,6-O-ACETYL-2,4-DIDEOXY-2-ACETYLAMINO)-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-O-ACETYL-2-DEOXY-3-O-[D-1-(2-PHENYLSULFONYLETHYLOXYC](/api/spectrum/7asvT0iTcj2/structure.png?h=300&w=458 "#1A;BENZYL-O-[(3,6-O-ACETYL-2,4-DIDEOXY-2-ACETYLAMINO)-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-O-ACETYL-2-DEOXY-3-O-[D-1-(2-PHENYLSULFONYLETHYLOXYC")
| SpectraBase Compound ID | 9WSVIONEHlA |
|---|---|
| InChI | InChI=1S/C40H52N2O17S/c1-23(38(48)51-17-18-60(49,50)31-15-11-8-12-16-31)55-37-35(42-25(3)44)39(54-20-29-13-9-7-10-14-29)58-33(22-53-27(5)46)36(37)59-40-34(41-24(2)43)32(56-28(6)47)19-30(57-40)21-52-26(4)45/h7-16,23,30,32-37,39-40H,17-22H2,1-6H3,(H,41,43)(H,42,44)/t23-,30-,32-,33+,34+,35+,36+,37+,39-,40-/m1/s1 |
| InChIKey | PMWCWFSDGXPRAY-ULPGZPGVSA-N |
| Mol Weight | 864.9 g/mol |
| Molecular Formula | C40H52N2O17S |
| Exact Mass | 864.298669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7asvT0iTcj2 |
|---|---|
| Name | #1A;BENZYL-O-[(3,6-O-ACETYL-2,4-DIDEOXY-2-ACETYLAMINO)-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-O-ACETYL-2-DEOXY-3-O-[D-1-(2-PHENYLSULFONYLETHYLOXYC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52N2O17S |
| InChI | InChI=1S/C40H52N2O17S/c1-23(38(48)51-17-18-60(49,50)31-15-11-8-12-16-31)55-37-35(42-25(3)44)39(54-20-29-13-9-7-10-14-29)58-33(22-53-27(5)46)36(37)59-40-34(41-24(2)43)32(56-28(6)47)19-30(57-40)21-52-26(4)45/h7-16,23,30,32-37,39-40H,17-22H2,1-6H3,(H,41,43)(H,42,44)/t23-,30-,32-,33+,34+,35+,36+,37+,39-,40-/m1/s1 |
| InChIKey | PMWCWFSDGXPRAY-ULPGZPGVSA-N |
| Literature Reference Author | D.Q.SUN,R.BUSSON,P.HERDEWIJN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5158(2006) |
| Molecular Weight | 864.916 g/mol |
| Sample ID | 32969 |
| Solvent | CDCl3 |