![#22;ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-6-O-(4-METHOXYBENZYL)-ALPHA-D-MANNOPYRANOSIDE](/api/spectrum/KZDuLZVY4SQ/structure.png?h=300&w=458 "#22;ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-6-O-(4-METHOXYBENZYL)-ALPHA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | 4iclT7T0gpD |
|---|---|
| InChI | InChI=1S/C60H62Cl3NO13/c1-3-33-70-58-55(76-56(65)46-27-17-8-18-28-46)54(73-38-44-25-15-7-16-26-44)52(49(75-58)40-69-35-45-29-31-47(67-2)32-30-45)77-57-50(64-59(66)60(61,62)63)53(72-37-43-23-13-6-14-24-43)51(71-36-42-21-11-5-12-22-42)48(74-57)39-68-34-41-19-9-4-10-20-41/h3-32,48-55,57-58H,1,33-40H2,2H3,(H,64,66)/t48-,49-,50-,51+,52-,53-,54+,55+,57+,58+/m0/s1 |
| InChIKey | XCBXFFWPHNGDTH-VUHGAERJSA-N |
| Mol Weight | 1111.5 g/mol |
| Molecular Formula | C60H62Cl3NO13 |
| Exact Mass | 1109.328674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZDuLZVY4SQ |
|---|---|
| Name | #22;ALLYL-[3,4,6-TRI-O-BENZYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-O-BENZOYL-3-O-BENZYL-6-O-(4-METHOXYBENZYL)-ALPHA-D-MANNOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H62Cl3NO13 |
| InChI | InChI=1S/C60H62Cl3NO13/c1-3-33-70-58-55(76-56(65)46-27-17-8-18-28-46)54(73-38-44-25-15-7-16-26-44)52(49(75-58)40-69-35-45-29-31-47(67-2)32-30-45)77-57-50(64-59(66)60(61,62)63)53(72-37-43-23-13-6-14-24-43)51(71-36-42-21-11-5-12-22-42)48(74-57)39-68-34-41-19-9-4-10-20-41/h3-32,48-55,57-58H,1,33-40H2,2H3,(H,64,66)/t48-,49-,50-,51+,52-,53-,54+,55+,57+,58+/m0/s1 |
| InChIKey | XCBXFFWPHNGDTH-VUHGAERJSA-N |
| Literature Reference Author | K.PEKARI,D.TAILLER,R.WEINGART,R.R.SCHMIDT |
| Literature Reference Citation | J.ORG.CHEM.,66,7432(2001) |
| Literature Reference DOI | 10.1021/jo015840q |
| Molecular Weight | 1111.510 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU28550 |