![#7;PHENYL-2-AZIDO-4-O-BENZYL-6-O-(4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-OCTACOSANOYLOXY-HEXADECAN]-AMIDO-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-1-THIO-ALPHA-D-GLUCOPYRANO](/api/spectrum/4QDTZOaPN0v/structure.png?h=300&w=458 "#7;PHENYL-2-AZIDO-4-O-BENZYL-6-O-(4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-OCTACOSANOYLOXY-HEXADECAN]-AMIDO-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-1-THIO-ALPHA-D-GLUCOPYRANO")
| SpectraBase Compound ID | 1W12oKbL7Cq |
|---|---|
| InChI | InChI=1S/C76H120N4O11S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-47-55-67(82)88-62(52-44-35-33-31-29-14-12-10-8-6-4-2)56-66(81)78-68-70(83)73-65(59-86-74(91-73)61-50-42-38-43-51-61)89-75(68)87-58-64-72(85-57-60-48-40-37-41-49-60)71(84)69(79-80-77)76(90-64)92-63-53-45-39-46-54-63/h37-43,45-46,48-51,53-54,62,64-65,68-76,83-84H,3-36,44,47,52,55-59H2,1-2H3,(H,78,81)/t62-,64-,65+,68+,69-,70+,71-,72-,73+,74+,75+,76-/m0/s1 |
| InChIKey | GLHCDFMQTUVFJI-AUCDCELHSA-N |
| Mol Weight | 1297.9 g/mol |
| Molecular Formula | C76H120N4O11S |
| Exact Mass | 1296.867432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QDTZOaPN0v |
|---|---|
| Name | #7;PHENYL-2-AZIDO-4-O-BENZYL-6-O-(4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-OCTACOSANOYLOXY-HEXADECAN]-AMIDO-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-1-THIO-ALPHA-D-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H120N4O11S |
| InChI | InChI=1S/C76H120N4O11S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-47-55-67(82)88-62(52-44-35-33-31-29-14-12-10-8-6-4-2)56-66(81)78-68-70(83)73-65(59-86-74(91-73)61-50-42-38-43-51-61)89-75(68)87-58-64-72(85-57-60-48-40-37-41-49-60)71(84)69(79-80-77)76(90-64)92-63-53-45-39-46-54-63/h37-43,45-46,48-51,53-54,62,64-65,68-76,83-84H,3-36,44,47,52,55-59H2,1-2H3,(H,78,81)/t62-,64-,65+,68+,69-,70+,71-,72-,73+,74+,75+,76-/m0/s1 |
| InChIKey | GLHCDFMQTUVFJI-AUCDCELHSA-N |
| Literature Reference Author | A.V.DEMCHENKO,M.A.WOLFERT,B.SANTHANAM,J.N.MOORE,G.J.BOONS |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,6103(2003) |
| Literature Reference DOI | 10.1021/ja029316s |
| Molecular Weight | 1297.869 g/mol |
| Sample ID | 41049 |
| Solvent | CDCl3 |