![10-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-DECYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE](/api/spectrum/G35hV042ZOx/structure.png?h=300&w=458 "10-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-DECYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | HtnPGQxR3No |
|---|---|
| InChI | InChI=1S/C54H54BrN5O11S/c55-40-31-41(72-34-40)32-66-48-43-47(58-54(56)59-48)60(35-57-43)29-19-5-3-1-2-4-6-20-30-65-53-46(71-52(64)39-27-17-10-18-28-39)45(70-51(63)38-25-15-9-16-26-38)44(69-50(62)37-23-13-8-14-24-37)42(68-53)33-67-49(61)36-21-11-7-12-22-36/h7-18,21-28,31,34-35,42,44-46,53H,1-6,19-20,29-30,32-33H2,(H2,56,58,59)/t42-,44-,45+,46-,53-/m1/s1 |
| InChIKey | YJIOKFSAVXTPFX-NERDCTGJSA-N |
| Mol Weight | 1061.0 g/mol |
| Molecular Formula | C54H54BrN5O11S |
| Exact Mass | 1059.272392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G35hV042ZOx |
|---|---|
| Name | 10-[O(6)-(4-BROMOTHENYL)-GUAN-9-YL]-DECYL-BETA-D-TETRA-O-BENZOYL-GLUCOPYRANOSIDE |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H54BrN5O11S |
| InChI | InChI=1S/C54H54BrN5O11S/c55-40-31-41(72-34-40)32-66-48-43-47(58-54(56)59-48)60(35-57-43)29-19-5-3-1-2-4-6-20-30-65-53-46(71-52(64)39-27-17-10-18-28-39)45(70-51(63)38-25-15-9-16-26-38)44(69-50(62)37-23-13-8-14-24-37)42(68-53)33-67-49(61)36-21-11-7-12-22-36/h7-18,21-28,31,34-35,42,44-46,53H,1-6,19-20,29-30,32-33H2,(H2,56,58,59)/t42-,44-,45+,46-,53-/m1/s1 |
| InChIKey | YJIOKFSAVXTPFX-NERDCTGJSA-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 | 1061.014 g/mol |
| Sample ID | 45156 |
| Solvent | CDCl3 |