![2-BENZYLOXYCARBONYLAMINOETHYL 2-O-[2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-2,4-DI-O-PARA-NITROBENZOYL-ALPHA-D-XYLOHEXOPYRANOSY;)-ALPHA-L-RHAMNOPYRANOSYL]-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE](/api/spectrum/AobVuawbNSM/structure.png?h=300&w=458 "2-BENZYLOXYCARBONYLAMINOETHYL 2-O-[2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-2,4-DI-O-PARA-NITROBENZOYL-ALPHA-D-XYLOHEXOPYRANOSY;)-ALPHA-L-RHAMNOPYRANOSYL]-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE")
| SpectraBase Compound ID | E2WMB6lm8Wa |
|---|---|
| InChI | InChI=1S/C77H79N3O21/c1-51-63(97-72(81)59-33-37-61(38-34-59)79(84)85)43-64(98-73(82)60-35-39-62(40-36-60)80(86)87)74(95-51)100-69-66(90-45-54-23-11-4-12-24-54)52(2)96-76(70(69)93-48-57-29-17-7-18-30-57)101-71-68(92-47-56-27-15-6-16-28-56)67(91-46-55-25-13-5-14-26-55)65(50-88-44-53-21-9-3-10-22-53)99-75(71)89-42-41-78-77(83)94-49-58-31-19-8-20-32-58/h3-40,51-52,63-71,74-76H,41-50H2,1-2H3,(H,78,83)/t51-,52+,63-,64-,65-,66+,67-,68+,69-,70-,71+,74-,75+,76+/m1/s1 |
| InChIKey | AUKYMMYAKMNHNG-PLWBSMQCSA-N |
| Mol Weight | 1382.5 g/mol |
| Molecular Formula | C77H79N3O21 |
| Exact Mass | 1381.520607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AobVuawbNSM |
|---|---|
| Name | 2-BENZYLOXYCARBONYLAMINOETHYL 2-O-[2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-2,4-DI-O-PARA-NITROBENZOYL-ALPHA-D-XYLOHEXOPYRANOSY;)-ALPHA-L-RHAMNOPYRANOSYL]-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE |
| Comments | 0, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C77H79N3O21 |
| InChI | InChI=1S/C77H79N3O21/c1-51-63(97-72(81)59-33-37-61(38-34-59)79(84)85)43-64(98-73(82)60-35-39-62(40-36-60)80(86)87)74(95-51)100-69-66(90-45-54-23-11-4-12-24-54)52(2)96-76(70(69)93-48-57-29-17-7-18-30-57)101-71-68(92-47-56-27-15-6-16-28-56)67(91-46-55-25-13-5-14-26-55)65(50-88-44-53-21-9-3-10-22-53)99-75(71)89-42-41-78-77(83)94-49-58-31-19-8-20-32-58/h3-40,51-52,63-71,74-76H,41-50H2,1-2H3,(H,78,83)/t51-,52+,63-,64-,65-,66+,67-,68+,69-,70-,71+,74-,75+,76+/m1/s1 |
| InChIKey | AUKYMMYAKMNHNG-PLWBSMQCSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | A.YA.CHERNYAK, I.V.DEMIDOV, N.K.KOCHETKOV (1989) Bioorganich.Khim.(Russ.Lang.): v.15, N12, 1673-1685. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |