![#5A;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PENTYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE](/api/spectrum/ETPaCEO05zO/structure.png?h=300&w=458 "#5A;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PENTYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE")
| SpectraBase Compound ID | H7FJ2LYxJjZ |
|---|---|
| InChI | InChI=1S/C55H63NO13S/c57-45(56-31-17-6-18-32-62-54-48(60)47(59)49-44(66-54)37-65-53(69-49)41-25-13-4-14-26-41)29-30-46(58)68-52-51(64-35-40-23-11-3-12-24-40)50(63-34-39-21-9-2-10-22-39)43(36-61-33-38-19-7-1-8-20-38)67-55(52)70-42-27-15-5-16-28-42/h1-5,7-16,19-28,43-44,47-55,59-60H,6,17-18,29-37H2,(H,56,57)/t43-,44-,47-,48-,49-,50+,51+,52-,53-,54-,55+/m1/s1 |
| InChIKey | WYSDWAICPQIKOR-GMYLHFDTSA-N |
| Mol Weight | 978.2 g/mol |
| Molecular Formula | C55H63NO13S |
| Exact Mass | 977.402012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETPaCEO05zO |
|---|---|
| Name | #5A;PHENYL-2-O-[3-[5-(4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOS-1-YLOXY)-PENTYLAMINOCARBONYL]-PROPINONYL]-3,4,6-TRI-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H63NO13S |
| InChI | InChI=1S/C55H63NO13S/c57-45(56-31-17-6-18-32-62-54-48(60)47(59)49-44(66-54)37-65-53(69-49)41-25-13-4-14-26-41)29-30-46(58)68-52-51(64-35-40-23-11-3-12-24-40)50(63-34-39-21-9-2-10-22-39)43(36-61-33-38-19-7-1-8-20-38)67-55(52)70-42-27-15-5-16-28-42/h1-5,7-16,19-28,43-44,47-55,59-60H,6,17-18,29-37H2,(H,56,57)/t43-,44-,47-,48-,49-,50+,51+,52-,53-,54-,55+/m1/s1 |
| InChIKey | WYSDWAICPQIKOR-GMYLHFDTSA-N |
| Literature Reference Author | P.CLAUDE,C.LEHMANN,T.ZIEGLER |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,7,1609(2011) |
| Literature Reference DOI | 10.3762/bjoc.7.189 |
| Molecular Weight | 978.164 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9869 |