![#25;PHENYL-[3,4,6-TRI-O-BENZYL-2-O-(2-METHOXYCARBONYLBENZY)-ALPHA-D-GLUCOPYRANOSYL]-(1->4)-6-O-BENZYL-2-DEOXY-1-THIO-2-TRIFLUOROACETAMIDO-BETA-D-GLUCOPYRANOSID](/api/spectrum/ITfAPn8OF4N/structure.png?h=300&w=458 "#25;PHENYL-[3,4,6-TRI-O-BENZYL-2-O-(2-METHOXYCARBONYLBENZY)-ALPHA-D-GLUCOPYRANOSYL]-(1->4)-6-O-BENZYL-2-DEOXY-1-THIO-2-TRIFLUOROACETAMIDO-BETA-D-GLUCOPYRANOSID")
| SpectraBase Compound ID | 6toEi64aBId |
|---|---|
| InChI | InChI=1S/C57H58F3NO12S/c1-65-53(63)44-30-18-17-27-42(44)35-70-52-51(69-34-41-25-13-5-14-26-41)50(68-33-40-23-11-4-12-24-40)46(37-67-32-39-21-9-3-10-22-39)71-54(52)73-49-45(36-66-31-38-19-7-2-8-20-38)72-55(74-43-28-15-6-16-29-43)47(48(49)62)61-56(64)57(58,59)60/h2-30,45-52,54-55,62H,31-37H2,1H3,(H,61,64)/t45-,46-,47-,48-,49-,50-,51+,52-,54-,55+/m1/s1 |
| InChIKey | YPCLAIVTZAHUDS-URQNVTSSSA-N |
| Mol Weight | 1038.1 g/mol |
| Molecular Formula | C57H58F3NO12S |
| Exact Mass | 1037.363182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITfAPn8OF4N |
|---|---|
| Name | #25;PHENYL-[3,4,6-TRI-O-BENZYL-2-O-(2-METHOXYCARBONYLBENZY)-ALPHA-D-GLUCOPYRANOSYL]-(1->4)-6-O-BENZYL-2-DEOXY-1-THIO-2-TRIFLUOROACETAMIDO-BETA-D-GLUCOPYRANOSID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H58F3NO12S |
| InChI | InChI=1S/C57H58F3NO12S/c1-65-53(63)44-30-18-17-27-42(44)35-70-52-51(69-34-41-25-13-5-14-26-41)50(68-33-40-23-11-4-12-24-40)46(37-67-32-39-21-9-3-10-22-39)71-54(52)73-49-45(36-66-31-38-19-7-2-8-20-38)72-55(74-43-28-15-6-16-29-43)47(48(49)62)61-56(64)57(58,59)60/h2-30,45-52,54-55,62H,31-37H2,1H3,(H,61,64)/t45-,46-,47-,48-,49-,50-,51+,52-,54-,55+/m1/s1 |
| InChIKey | YPCLAIVTZAHUDS-URQNVTSSSA-N |
| Literature Reference Author | G.LEMANSKI,T.ZIEGLER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2618(2006) |
| Molecular Weight | 1038.142 g/mol |
| Sample ID | 43723 |
| Solvent | CDCl3 |