![#22B;BENZYL-O-[4,6-O-BENZYLIDENE-2,3-DIDEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-BENZYL-2-DEOXY-3-O-[D](/api/spectrum/CyzSHI0fS2m/structure.png?h=300&w=458 "#22B;BENZYL-O-[4,6-O-BENZYLIDENE-2,3-DIDEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-BENZYL-2-DEOXY-3-O-[D")
| SpectraBase Compound ID | J4C22xbcU3V |
|---|---|
| InChI | InChI=1S/C49H55Cl3N2O15S/c1-31(44(56)61-23-24-70(58,59)36-21-13-6-14-22-36)65-43-41(53-32(2)55)47(62-27-34-17-9-4-10-18-34)68-40(28-60-26-33-15-7-3-8-16-33)42(43)69-46-37(54-48(57)64-30-49(50,51)52)25-38-39(67-46)29-63-45(66-38)35-19-11-5-12-20-35/h3-22,31,37-43,45-47H,23-30H2,1-2H3,(H,53,55)(H,54,57)/t31-,37+,38-,39+,40+,41+,42+,43+,45?,46-,47+/m1/s1 |
| InChIKey | RWWOMKVUYKNCGG-MXSBHGCZSA-N |
| Mol Weight | 1050.4 g/mol |
| Molecular Formula | C49H55Cl3N2O15S |
| Exact Mass | 1048.238873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyzSHI0fS2m |
|---|---|
| Name | #22B;BENZYL-O-[4,6-O-BENZYLIDENE-2,3-DIDEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-1-BETA-D-XYLOPYRANOSYL]-(1->4)-2-ACETYLAMINO-6-BENZYL-2-DEOXY-3-O-[D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H55Cl3N2O15S |
| InChI | InChI=1S/C49H55Cl3N2O15S/c1-31(44(56)61-23-24-70(58,59)36-21-13-6-14-22-36)65-43-41(53-32(2)55)47(62-27-34-17-9-4-10-18-34)68-40(28-60-26-33-15-7-3-8-16-33)42(43)69-46-37(54-48(57)64-30-49(50,51)52)25-38-39(67-46)29-63-45(66-38)35-19-11-5-12-20-35/h3-22,31,37-43,45-47H,23-30H2,1-2H3,(H,53,55)(H,54,57)/t31-,37+,38-,39+,40+,41+,42+,43+,45?,46-,47+/m1/s1 |
| InChIKey | RWWOMKVUYKNCGG-MXSBHGCZSA-N |
| Literature Reference Author | D.Q.SUN,R.BUSSON,P.HERDEWIJN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5158(2006) |
| Molecular Weight | 1050.399 g/mol |
| Sample ID | 32968 |
| Solvent | CDCl3 |