| SpectraBase Compound ID | 3K0fWDE5iLd |
|---|---|
| InChI | InChI=1S/C44H74N5O26P.Na/c1-17(54)46-29-35(62)33(60)25(13-50)68-42(29)72-37-28(16-53)71-44(32(49-20(4)57)40(37)67-22(6)59)75-76(63,64)74-38-30(47-18(2)55)43(69-26(14-51)34(38)61)73-36-27(15-52)70-41(31(48-19(3)56)39(36)66-21(5)58)65-12-11-23-7-9-24(45)10-8-23;/h23-44,50-53,60-62H,7-16,45H2,1-6H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57)(H,63,64);/q;+1/p-1/t23?,24?,25-,26+,27+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-;/m0./s1 |
| InChIKey | LGFBFHPORBVCIH-BARNBGBGSA-M |
| Mol Weight | 1142.0 g/mol |
| Molecular Formula | C44H73N5NaO26P |
| Exact Mass | 1141.417909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19UwWbHZJV5 |
|---|---|
| Name | #30;2-(4-AMINOCYCLOHEXYL)-ETHYL-2-ACETAMIDO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-(1->4)-2-ACETAMIDO-3-O-ACETYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL-PHOSPHATE-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H73N5NaO26P |
| InChI | InChI=1S/C44H74N5O26P.Na/c1-17(54)46-29-35(62)33(60)25(13-50)68-42(29)72-37-28(16-53)71-44(32(49-20(4)57)40(37)67-22(6)59)75-76(63,64)74-38-30(47-18(2)55)43(69-26(14-51)34(38)61)73-36-27(15-52)70-41(31(48-19(3)56)39(36)66-21(5)58)65-12-11-23-7-9-24(45)10-8-23;/h23-44,50-53,60-62H,7-16,45H2,1-6H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57)(H,63,64);/q;+1/p-1/t23?,24?,25-,26+,27+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-;/m0./s1 |
| InChIKey | LGFBFHPORBVCIH-BARNBGBGSA-M |
| Literature Reference Author | J.HANSSON,P.J.GAREGG,S.OSCARSON |
| Literature Reference Citation | J.ORG.CHEM.,66,6234(2001) |
| Literature Reference DOI | 10.1021/jo001302m |
| Molecular Weight | 1142.045 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN24576 |