![BENZYL{(2-BENZYLOXYCARBONYLAMINOETHYL)-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-[2,3,6-TRI-O-BENZYL-4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-GALACTOPYRANOSYL]-BETA-CELLOBIOSIDE}URONATE](/api/spectrum/4Iv1P6Z6zwX/structure.png?h=300&w=458 "BENZYL{(2-BENZYLOXYCARBONYLAMINOETHYL)-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-[2,3,6-TRI-O-BENZYL-4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-GALACTOPYRANOSYL]-BETA-CELLOBIOSIDE}URONATE")
| SpectraBase Compound ID | 56Ij260eU4i |
|---|---|
| InChI | InChI=1S/C100H109NO29/c1-65(102)112-64-81-84(87(120-66(2)103)93(122-68(4)105)96(124-81)111-52-51-101-100(108)119-61-78-49-31-14-32-50-78)128-99-94(123-69(5)106)89(121-67(3)104)88(90(130-99)95(107)118-60-77-47-29-13-30-48-77)129-98-92(117-59-76-45-27-12-28-46-76)86(115-57-74-41-23-10-24-42-74)83(80(126-98)63-110-54-71-35-17-7-18-36-71)127-97-91(116-58-75-43-25-11-26-44-75)85(114-56-73-39-21-9-22-40-73)82(113-55-72-37-19-8-20-38-72)79(125-97)62-109-53-70-33-15-6-16-34-70/h6-50,79-94,96-99H,51-64H2,1-5H3,(H,101,108)/t79-,80-,81-,82-,83+,84-,85+,86+,87+,88+,89+,90+,91-,92-,93-,94-,96-,97-,98-,99-/m1/s1 |
| InChIKey | JARVREBIFGGNKX-MHJSNYIBSA-N |
| Mol Weight | 1788.9 g/mol |
| Molecular Formula | C100H109NO29 |
| Exact Mass | 1787.708526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Iv1P6Z6zwX |
|---|---|
| Name | BENZYL{(2-BENZYLOXYCARBONYLAMINOETHYL)-2,3,6,2',3'-PENTA-O-ACETYL-4'-O-[2,3,6-TRI-O-BENZYL-4-O-(2,3,4,6-TETRA-O-BENZYL-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-GALACTOPYRANOSYL]-BETA-CELLOBIOSIDE}URONATE |
| Comments | 00 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C100H109NO29 |
| InChI | InChI=1S/C100H109NO29/c1-65(102)112-64-81-84(87(120-66(2)103)93(122-68(4)105)96(124-81)111-52-51-101-100(108)119-61-78-49-31-14-32-50-78)128-99-94(123-69(5)106)89(121-67(3)104)88(90(130-99)95(107)118-60-77-47-29-13-30-48-77)129-98-92(117-59-76-45-27-12-28-46-76)86(115-57-74-41-23-10-24-42-74)83(80(126-98)63-110-54-71-35-17-7-18-36-71)127-97-91(116-58-75-43-25-11-26-44-75)85(114-56-73-39-21-9-22-40-73)82(113-55-72-37-19-8-20-38-72)79(125-97)62-109-53-70-33-15-6-16-34-70/h6-50,79-94,96-99H,51-64H2,1-5H3,(H,101,108)/t79-,80-,81-,82-,83+,84-,85+,86+,87+,88+,89+,90+,91-,92-,93-,94-,96-,97-,98-,99-/m1/s1 |
| InChIKey | JARVREBIFGGNKX-MHJSNYIBSA-N |
| Instrument Name | Bruker AM-300 |
| Literature Reference | A.YA.CHERNYAK, K.V.ANTONOV (1992) Bioorganich.Khim.(Russ. Lang.): v.18, N5, 716-725. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |