![N-(FLUOREN-9-YLMETHOXYCARBONYL)-4-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-1-[(+)-BIOTINYLAMIDOPROPYL]-L-ASPARTIC-ACID-DIAMIDE](/api/spectrum/AK0cJqrZgxm/structure.png?h=300&w=458 "N-(FLUOREN-9-YLMETHOXYCARBONYL)-4-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-1-[(+)-BIOTINYLAMIDOPROPYL]-L-ASPARTIC-ACID-DIAMIDE")
| SpectraBase Compound ID | 5h5yU7qvgdW |
|---|---|
| InChI | InChI=1S/C40H54N6O12S/c47-19-29-34(50)35(51)36(52)38(58-29)56-17-16-42-32(49)18-27(45-40(55)57-20-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26)37(53)43-15-7-14-41-31(48)13-6-5-12-30-33-28(21-59-30)44-39(54)46-33/h1-4,8-11,26-30,33-36,38,47,50-52H,5-7,12-21H2,(H,41,48)(H,42,49)(H,43,53)(H,45,55)(H2,44,46,54)/t27?,28?,29-,30-,33?,34-,35+,36+,38+/m0/s1 |
| InChIKey | SGMJNXFYBCQWNA-ACMNQLSWSA-N |
| Mol Weight | 843.0 g/mol |
| Molecular Formula | C40H54N6O12S |
| Exact Mass | 842.352042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AK0cJqrZgxm |
|---|---|
| Name | N-(FLUOREN-9-YLMETHOXYCARBONYL)-4-[2-(ALPHA-D-MANNOPYRANOSYLOXY)-ETHYL]-1-[(+)-BIOTINYLAMIDOPROPYL]-L-ASPARTIC-ACID-DIAMIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N6O12S |
| InChI | InChI=1S/C40H54N6O12S/c47-19-29-34(50)35(51)36(52)38(58-29)56-17-16-42-32(49)18-27(45-40(55)57-20-26-24-10-3-1-8-22(24)23-9-2-4-11-25(23)26)37(53)43-15-7-14-41-31(48)13-6-5-12-30-33-28(21-59-30)44-39(54)46-33/h1-4,8-11,26-30,33-36,38,47,50-52H,5-7,12-21H2,(H,41,48)(H,42,49)(H,43,53)(H,45,55)(H2,44,46,54)/t27?,28?,29-,30-,33?,34-,35+,36+,38+/m0/s1 |
| InChIKey | SGMJNXFYBCQWNA-ACMNQLSWSA-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 | 842.962 g/mol |
| Solvent | CD3CN:D2O=1:1 |
| Source File Reference | UWBT10142 |