![6-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-HEXYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE](/api/spectrum/6IVPJC3SNP1/structure.png?h=300&w=458 "6-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-HEXYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 6Xa71aYJ1bP |
|---|---|
| InChI | InChI=1S/C50H46BrN5O11S/c51-36-27-37(68-30-36)28-62-44-39-43(54-50(52)55-44)56(31-53-39)25-15-1-2-16-26-61-49-42(67-48(60)35-23-13-6-14-24-35)41(66-47(59)34-21-11-5-12-22-34)40(65-46(58)33-19-9-4-10-20-33)38(64-49)29-63-45(57)32-17-7-3-8-18-32/h3-14,17-24,27,30-31,38,40-42,49H,1-2,15-16,25-26,28-29H2,(H2,52,54,55)/t38-,40-,41+,42-,49-/m1/s1 |
| InChIKey | DXEOVONWCMAWAV-MOMALEIASA-N |
| Mol Weight | 1004.9 g/mol |
| Molecular Formula | C50H46BrN5O11S |
| Exact Mass | 1003.209791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IVPJC3SNP1 |
|---|---|
| Name | 6-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-HEXYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H46BrN5O11S |
| InChI | InChI=1S/C50H46BrN5O11S/c51-36-27-37(68-30-36)28-62-44-39-43(54-50(52)55-44)56(31-53-39)25-15-1-2-16-26-61-49-42(67-48(60)35-23-13-6-14-24-35)41(66-47(59)34-21-11-5-12-22-34)40(65-46(58)33-19-9-4-10-20-33)38(64-49)29-63-45(57)32-17-7-3-8-18-32/h3-14,17-24,27,30-31,38,40-42,49H,1-2,15-16,25-26,28-29H2,(H2,52,54,55)/t38-,40-,41+,42-,49-/m1/s1 |
| InChIKey | DXEOVONWCMAWAV-MOMALEIASA-N |
| Literature Reference Author | J.REINHARD,W.E.HULL,C.W.V.D.LIETH,U.EICHHORN,H.C.KLIEM,B.KAI NA,M.WIESSLER |
| Literature Reference Citation | J.MED.CHEM.,44,4050(2001) |
| Literature Reference DOI | 10.1021/jm010006e |
| Molecular Weight | 1004.906 g/mol |
| Sample ID | 45167 |
| Solvent | CDCl3 |