![3-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-TRITYL-BETA-D-GLUCOPYRANOSYL)-4-O-BENZYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-BETA-L-RHAMNOPYRANOSE](/api/spectrum/LTeTKr5H55v/structure.png?h=300&w=458 "3-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-TRITYL-BETA-D-GLUCOPYRANOSYL)-4-O-BENZYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-BETA-L-RHAMNOPYRANOSE")
| SpectraBase Compound ID | DbkGovKZK2a |
|---|---|
| InChI | InChI=1S/C47H50N2O12/c1-29-39(53-26-33-18-10-6-11-19-33)42(43-45(55-29)61-46(5,28-48)60-43)59-44-38(49-30(2)50)41(57-32(4)52)40(56-31(3)51)37(58-44)27-54-47(34-20-12-7-13-21-34,35-22-14-8-15-23-35)36-24-16-9-17-25-36/h6-25,29,37-45H,26-27H2,1-5H3,(H,49,50)/t29-,37+,38+,39-,40+,41+,42+,43+,44-,45+,46+/m0/s1 |
| InChIKey | KTTICONZOUGSCH-GCKFVLTKSA-N |
| Mol Weight | 834.9 g/mol |
| Molecular Formula | C47H50N2O12 |
| Exact Mass | 834.336375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTeTKr5H55v |
|---|---|
| Name | 3-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY-6-O-TRITYL-BETA-D-GLUCOPYRANOSYL)-4-O-BENZYL-1,2-O-[1-(EXO-CYANO)ETHYLIDENE]-BETA-L-RHAMNOPYRANOSE |
| Comments | 00 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C47H50N2O12 |
| InChI | InChI=1S/C47H50N2O12/c1-29-39(53-26-33-18-10-6-11-19-33)42(43-45(55-29)61-46(5,28-48)60-43)59-44-38(49-30(2)50)41(57-32(4)52)40(56-31(3)51)37(58-44)27-54-47(34-20-12-7-13-21-34,35-22-14-8-15-23-35)36-24-16-9-17-25-36/h6-25,29,37-45H,26-27H2,1-5H3,(H,49,50)/t29-,37+,38+,39-,40+,41+,42+,43+,44-,45+,46+/m0/s1 |
| InChIKey | KTTICONZOUGSCH-GCKFVLTKSA-N |
| Instrument Name | Bruker WM-250 |
| Literature Reference | L.V.BAKINOVSKY, YU.E.TSVETKOV, M.V.OVCHINNIKOV, N.E.BAIRAMOVA, N.K.KOCHETKOV(1985) Bioorganich.Khim.(Russ. Lang.): v.11, N1, 66-76. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |