![PHENYL-2-AMINO-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-GLUCOPYRANOSID](/api/spectrum/9Y3cu2WOOpV/structure.png?h=300&w=458 "PHENYL-2-AMINO-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-GLUCOPYRANOSID")
| SpectraBase Compound ID | LvUitpsPUU6 |
|---|---|
| InChI | InChI=1S/C76H122N2O11S/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(80)86-62(52-44-35-33-31-29-14-12-10-8-6-4-2)56-66(79)78-69-71(82)73-65(59-84-74(89-73)61-50-42-38-43-51-61)87-75(69)85-58-64-72(83-57-60-48-40-37-41-49-60)70(81)68(77)76(88-64)90-63-53-45-39-46-54-63/h37-43,45-46,48-51,53-54,62,64-65,68-76,81-82H,3-36,44,47,52,55-59,77H2,1-2H3,(H,78,79)/t62-,64-,65+,68-,69+,70-,71+,72-,73+,74+,75+,76-/m0/s1 |
| InChIKey | ZYBTXCOTCPPZBS-OMYDFXPLSA-N |
| Mol Weight | 1271.9 g/mol |
| Molecular Formula | C76H122N2O11S |
| Exact Mass | 1270.876934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Y3cu2WOOpV |
|---|---|
| Name | PHENYL-2-AMINO-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-GLUCOPYRANOSID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H122N2O11S |
| InChI | InChI=1S/C76H122N2O11S/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(80)86-62(52-44-35-33-31-29-14-12-10-8-6-4-2)56-66(79)78-69-71(82)73-65(59-84-74(89-73)61-50-42-38-43-51-61)87-75(69)85-58-64-72(83-57-60-48-40-37-41-49-60)70(81)68(77)76(88-64)90-63-53-45-39-46-54-63/h37-43,45-46,48-51,53-54,62,64-65,68-76,81-82H,3-36,44,47,52,55-59,77H2,1-2H3,(H,78,79)/t62-,64-,65+,68-,69+,70-,71+,72-,73+,74+,75+,76-/m0/s1 |
| InChIKey | ZYBTXCOTCPPZBS-OMYDFXPLSA-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 | 1271.871 g/mol |
| Sample ID | 41050 |
| Solvent | CDCl3 |