![[2-[BETA-D-GALACTOPYRANOSYL-(3-BETA-D-GALACTOPYRANOSYL-CARBAMOYLPROPIONYL)-AMINO]-ACETYLAMINO]-ACETIC-ACID-METHYLESTER](/api/spectrum/5qjUfY4as95/structure.png?h=300&w=458 "[2-[BETA-D-GALACTOPYRANOSYL-(3-BETA-D-GALACTOPYRANOSYL-CARBAMOYLPROPIONYL)-AMINO]-ACETYLAMINO]-ACETIC-ACID-METHYLESTER")
| SpectraBase Compound ID | 4x0Qv4BR4Bq |
|---|---|
| InChI | InChI=1S/2C21H35N3O15/c2*1-37-13(30)4-22-11(28)5-24(21-19(36)17(34)15(32)9(7-26)39-21)12(29)3-2-10(27)23-20-18(35)16(33)14(31)8(6-25)38-20/h2*8-9,14-21,25-26,31-36H,2-7H2,1H3,(H,22,28)(H,23,27)/t8-,9+,14+,15-,16+,17-,18-,19+,20-,21+;8-,9-,14+,15+,16+,17+,18-,19-,20-,21-/m00/s1 |
| InChIKey | PEMYKMHPDSCFTN-BZJQAKTKSA-N |
| Mol Weight | 1139.0 g/mol |
| Molecular Formula | C42H70N6O30 |
| Exact Mass | 1138.413635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qjUfY4as95 |
|---|---|
| Name | [2-[BETA-D-GALACTOPYRANOSYL-(3-BETA-D-GALACTOPYRANOSYL-CARBAMOYLPROPIONYL)-AMINO]-ACETYLAMINO]-ACETIC-ACID-METHYLESTER |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70N6O30 |
| InChI | InChI=1S/2C21H35N3O15/c2*1-37-13(30)4-22-11(28)5-24(21-19(36)17(34)15(32)9(7-26)39-21)12(29)3-2-10(27)23-20-18(35)16(33)14(31)8(6-25)38-20/h2*8-9,14-21,25-26,31-36H,2-7H2,1H3,(H,22,28)(H,23,27)/t8-,9+,14+,15-,16+,17-,18-,19+,20-,21+;8-,9-,14+,15+,16+,17+,18-,19-,20-,21-/m00/s1 |
| InChIKey | PEMYKMHPDSCFTN-BZJQAKTKSA-N |
| Literature Reference Author | P.V.MURPHY,H.BRADLEY,M.TOSIN,N.PITT,G.M.FITZPATRICK,W.K.GLAS S |
| Literature Reference Citation | J.ORG.CHEM.,68,5692(2003) |
| Literature Reference DOI | 10.1021/jo034336d |
| Molecular Weight | 1139.040 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU24278 |