![#17;PHENYL-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-[(R)-3-BENZYLOXY-HEXADECAN]-2-AMID](/api/spectrum/85Sc4oFyCgD/structure.png?h=300&w=458 "#17;PHENYL-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-[(R)-3-BENZYLOXY-HEXADECAN]-2-AMID")
| SpectraBase Compound ID | m7vBmixzf7 |
|---|---|
| InChI | InChI=1S/C76H110N2O14S/c1-4-6-8-10-12-14-16-18-20-22-34-44-60(85-52-57-38-28-24-29-39-57)50-65(80)78-69-71(84)72(86-53-58-40-30-25-31-41-58)63(91-76(69)93-62-46-36-27-37-47-62)54-88-75-68(70(83)73-64(90-75)55-87-74(92-73)59-42-32-26-33-43-59)77-66(81)51-61(89-67(82)49-48-56(3)79)45-35-23-21-19-17-15-13-11-9-7-5-2/h24-33,36-43,46-47,60-61,63-64,68-76,83-84H,4-23,34-35,44-45,48-55H2,1-3H3,(H,77,81)(H,78,80)/t60-,61+,63+,64-,68-,69+,70-,71+,72+,73-,74-,75-,76+/m1/s1 |
| InChIKey | YLJFJXIJHKQOJX-RDWRKIGSSA-N |
| Mol Weight | 1307.8 g/mol |
| Molecular Formula | C76H110N2O14S |
| Exact Mass | 1306.767777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85Sc4oFyCgD |
|---|---|
| Name | #17;PHENYL-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-[(R)-3-BENZYLOXY-HEXADECAN]-2-AMID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H110N2O14S |
| InChI | InChI=1S/C76H110N2O14S/c1-4-6-8-10-12-14-16-18-20-22-34-44-60(85-52-57-38-28-24-29-39-57)50-65(80)78-69-71(84)72(86-53-58-40-30-25-31-41-58)63(91-76(69)93-62-46-36-27-37-47-62)54-88-75-68(70(83)73-64(90-75)55-87-74(92-73)59-42-32-26-33-43-59)77-66(81)51-61(89-67(82)49-48-56(3)79)45-35-23-21-19-17-15-13-11-9-7-5-2/h24-33,36-43,46-47,60-61,63-64,68-76,83-84H,4-23,34-35,44-45,48-55H2,1-3H3,(H,77,81)(H,78,80)/t60-,61+,63+,64-,68-,69+,70-,71+,72+,73-,74-,75-,76+/m1/s1 |
| InChIKey | YLJFJXIJHKQOJX-RDWRKIGSSA-N |
| Literature Reference Author | B.SANTHANAM,G.J.BOONS |
| Literature Reference Citation | ORG.LETTERS,6,3333(2004) |
| Literature Reference DOI | 10.1021/ol048746f |
| Molecular Weight | 1307.774 g/mol |
| Sample ID | 50955 |
| Solvent | CDCl3 |