![#36;2-[2-(2-CYANOETHOXY)-ETHOXY]-ETHYL-2,4-DI-O-ACETYL-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->3)-[(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL](/api/spectrum/2FIylTAk83y/structure.png?h=300&w=458 "#36;2-[2-(2-CYANOETHOXY)-ETHOXY]-ETHYL-2,4-DI-O-ACETYL-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->3)-[(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL")
| SpectraBase Compound ID | 50n4T3DWFg3 |
|---|---|
| InChI | InChI=1S/C85H79NO28/c1-53(87)103-66-65(52-102-84-73(112-81(95)61-40-23-9-24-41-61)69(110-79(93)59-36-19-7-20-37-59)67(108-77(91)57-32-15-5-16-33-57)63(106-84)50-100-75(89)55-28-11-3-12-29-55)105-83(99-49-48-98-47-46-97-45-27-44-86)72(104-54(2)88)71(66)114-85-74(113-82(96)62-42-25-10-26-43-62)70(111-80(94)60-38-21-8-22-39-60)68(109-78(92)58-34-17-6-18-35-58)64(107-85)51-101-76(90)56-30-13-4-14-31-56/h3-26,28-43,63-74,83-85H,27,45-52H2,1-2H3/t63-,64-,65+,66+,67-,68-,69+,70+,71-,72-,73+,74+,83-,84+,85-/m1/s1 |
| InChIKey | MMXSFKJHXURYAL-DRMNLEDISA-N |
| Mol Weight | 1562.5 g/mol |
| Molecular Formula | C85H79NO28 |
| Exact Mass | 1561.478861 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FIylTAk83y |
|---|---|
| Name | #36;2-[2-(2-CYANOETHOXY)-ETHOXY]-ETHYL-2,4-DI-O-ACETYL-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->3)-[(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H79NO28 |
| InChI | InChI=1S/C85H79NO28/c1-53(87)103-66-65(52-102-84-73(112-81(95)61-40-23-9-24-41-61)69(110-79(93)59-36-19-7-20-37-59)67(108-77(91)57-32-15-5-16-33-57)63(106-84)50-100-75(89)55-28-11-3-12-29-55)105-83(99-49-48-98-47-46-97-45-27-44-86)72(104-54(2)88)71(66)114-85-74(113-82(96)62-42-25-10-26-43-62)70(111-80(94)60-38-21-8-22-39-60)68(109-78(92)58-34-17-6-18-35-58)64(107-85)51-101-76(90)56-30-13-4-14-31-56/h3-26,28-43,63-74,83-85H,27,45-52H2,1-2H3/t63-,64-,65+,66+,67-,68-,69+,70+,71-,72-,73+,74+,83-,84+,85-/m1/s1 |
| InChIKey | MMXSFKJHXURYAL-DRMNLEDISA-N |
| Literature Reference Author | R.H.FURNEAUX,Z.PAKULSKI,P.C.TYLER |
| Literature Reference Citation | CAN.J.CHEM.,80,964(2002) |
| Literature Reference DOI | 10.1139/v02-120 |
| Molecular Weight | 1562.552 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN27360 |