![N-[PARA-(TRIFLUOROMETHYL-DIAZIRINYL)-BENZOYL]-4[(+)-BIOTINYLAMIDOPROPYL]-1-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-L-ASPARTIC-ACID-DIAMIDE](/api/spectrum/6n1uuQRTFZv/structure.png?h=300&w=458 "N-[PARA-(TRIFLUOROMETHYL-DIAZIRINYL)-BENZOYL]-4[(+)-BIOTINYLAMIDOPROPYL]-1-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-L-ASPARTIC-ACID-DIAMIDE")
| SpectraBase Compound ID | 9Sjoh5MO4re |
|---|---|
| InChI | InChI=1S/C34H47F3N8O11S/c35-34(36,37)33(44-45-33)18-8-6-17(7-9-18)29(52)41-19(30(53)40-12-13-55-31-28(51)27(50)26(49)21(15-46)56-31)14-24(48)39-11-3-10-38-23(47)5-2-1-4-22-25-20(16-57-22)42-32(54)43-25/h6-9,19-22,25-28,31,46,49-51H,1-5,10-16H2,(H,38,47)(H,39,48)(H,40,53)(H,41,52)(H2,42,43,54)/t19?,20?,21-,22-,25?,26-,27+,28+,31+/m1/s1 |
| InChIKey | PLMXECNZKPAFKG-HKIVNBCASA-N |
| Mol Weight | 832.9 g/mol |
| Molecular Formula | C34H47F3N8O11S |
| Exact Mass | 832.30371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6n1uuQRTFZv |
|---|---|
| Name | N-[PARA-(TRIFLUOROMETHYL-DIAZIRINYL)-BENZOYL]-4[(+)-BIOTINYLAMIDOPROPYL]-1-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-L-ASPARTIC-ACID-DIAMIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47F3N8O11S |
| InChI | InChI=1S/C34H47F3N8O11S/c35-34(36,37)33(44-45-33)18-8-6-17(7-9-18)29(52)41-19(30(53)40-12-13-55-31-28(51)27(50)26(49)21(15-46)56-31)14-24(48)39-11-3-10-38-23(47)5-2-1-4-22-25-20(16-57-22)42-32(54)43-25/h6-9,19-22,25-28,31,46,49-51H,1-5,10-16H2,(H,38,47)(H,39,48)(H,40,53)(H,41,52)(H2,42,43,54)/t19?,20?,21-,22-,25?,26-,27+,28+,31+/m1/s1 |
| InChIKey | PLMXECNZKPAFKG-HKIVNBCASA-N |
| Literature Reference Author | T.K.LINDHORST,M.MAERTEN,A.FUCHS,S.D.KNIGHT |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,6,810(2010) |
| Literature Reference DOI | 10.3762/bjoc.6.91 |
| Molecular Weight | 832.849 g/mol |
| Solvent | CD3CN:D2O=1:1 |
| Source File Reference | UWBT10145 |