![1-HEXYL-ACETAMIDO-4,6-O-BENZYLIDENE-3-O-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANAMIDO)-ETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/7yCLizJJOoa/structure.png?h=300&w=458 "1-HEXYL-ACETAMIDO-4,6-O-BENZYLIDENE-3-O-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANAMIDO)-ETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 9HoDx0qCfFA |
|---|---|
| InChI | InChI=1S/C37H53Cl2N3O7/c1-3-4-5-9-24-46-37-33(41-27(2)43)35(34-31(48-37)26-47-36(49-34)29-12-7-6-8-13-29)45-25-21-40-32(44)14-10-11-28-15-17-30(18-16-28)42(22-19-38)23-20-39/h6-8,12-13,15-18,31,33-37H,3-5,9-11,14,19-26H2,1-2H3,(H,40,44)(H,41,43)/t31-,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | CSNOYNHZKUSYFD-GIZYWFQPSA-N |
| Mol Weight | 722.8 g/mol |
| Molecular Formula | C37H53Cl2N3O7 |
| Exact Mass | 721.326056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yCLizJJOoa |
|---|---|
| Name | 1-HEXYL-ACETAMIDO-4,6-O-BENZYLIDENE-3-O-[2-(4-{4-[BIS-(2-CHLOROETHYL)-AMINO]-PHENYL}-BUTANAMIDO)-ETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H53Cl2N3O7 |
| InChI | InChI=1S/C37H53Cl2N3O7/c1-3-4-5-9-24-46-37-33(41-27(2)43)35(34-31(48-37)26-47-36(49-34)29-12-7-6-8-13-29)45-25-21-40-32(44)14-10-11-28-15-17-30(18-16-28)42(22-19-38)23-20-39/h6-8,12-13,15-18,31,33-37H,3-5,9-11,14,19-26H2,1-2H3,(H,40,44)(H,41,43)/t31-,33-,34-,35-,36-,37-/m0/s1 |
| InChIKey | CSNOYNHZKUSYFD-GIZYWFQPSA-N |
| Literature Reference Author | F.IGLESIAS-GUERRA,J.I.CANDELA,J.BAUTISTA,F.ALCUDIA,J.M.VEGA- PEREZ |
| Literature Reference Citation | CARBOHYDR.RES.,316,71(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00030-0 |
| Molecular Weight | 722.750 g/mol |
| Solvent | ME2SO-D6 |
| Source File Reference | UWMP15111 |