![8-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-OCTYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE](/api/spectrum/FEge9UWcwi/structure.png?h=300&w=458 "8-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-OCTYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | CQf6cVLlG7W |
|---|---|
| InChI | InChI=1S/C52H50BrN5O11S/c53-38-29-39(70-32-38)30-64-46-41-45(56-52(54)57-46)58(33-55-41)27-17-3-1-2-4-18-28-63-51-44(69-50(62)37-25-15-8-16-26-37)43(68-49(61)36-23-13-7-14-24-36)42(67-48(60)35-21-11-6-12-22-35)40(66-51)31-65-47(59)34-19-9-5-10-20-34/h5-16,19-26,29,32-33,40,42-44,51H,1-4,17-18,27-28,30-31H2,(H2,54,56,57)/t40-,42-,43+,44-,51-/m1/s1 |
| InChIKey | RBPUOKCUNZDKAN-KSPMRNABSA-N |
| Mol Weight | 1033.0 g/mol |
| Molecular Formula | C52H50BrN5O11S |
| Exact Mass | 1031.241092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEge9UWcwi |
|---|---|
| Name | 8-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-OCTYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H50BrN5O11S |
| InChI | InChI=1S/C52H50BrN5O11S/c53-38-29-39(70-32-38)30-64-46-41-45(56-52(54)57-46)58(33-55-41)27-17-3-1-2-4-18-28-63-51-44(69-50(62)37-25-15-8-16-26-37)43(68-49(61)36-23-13-7-14-24-36)42(67-48(60)35-21-11-6-12-22-35)40(66-51)31-65-47(59)34-19-9-5-10-20-34/h5-16,19-26,29,32-33,40,42-44,51H,1-4,17-18,27-28,30-31H2,(H2,54,56,57)/t40-,42-,43+,44-,51-/m1/s1 |
| InChIKey | RBPUOKCUNZDKAN-KSPMRNABSA-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 | 1032.960 g/mol |
| Sample ID | 45148 |
| Solvent | CDCl3 |