| SpectraBase Compound ID | 4cRCCWIVaDA |
|---|---|
| InChI | InChI=1S/C71H79N4O17P/c1-77-66-62(74-75-73)70(90-60-48-85-69(92-65(60)66)57-37-22-9-23-38-57)86-47-58(79-41-51-25-10-3-11-26-51)63(81-43-53-29-14-5-15-30-53)59(80-42-52-27-12-4-13-28-52)49-88-93(76,87-40-24-39-72)89-50-61-64(82-44-54-31-16-6-17-32-54)67(83-45-55-33-18-7-19-34-55)68(71(78-2)91-61)84-46-56-35-20-8-21-36-56/h3-23,25-38,58-71H,24,40-50H2,1-2H3/t58?,59?,60-,61+,62-,63?,64+,65+,66-,67-,68+,69+,70-,71+,93?/m1/s1 |
| InChIKey | JNHFAEKGRKESHP-IOVUKDRCSA-N |
| Mol Weight | 1291.4 g/mol |
| Molecular Formula | C71H79N4O17P |
| Exact Mass | 1290.517784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFG63W7HEEq |
|---|---|
| Name | (METHYL-2,3,4-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSID-6-YL)-2-CYANOETHYL-1-O-(2-AZIDO-4,6-O-BENZYLIDENE-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)-2,3 |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H79N4O17P |
| InChI | InChI=1S/C71H79N4O17P/c1-77-66-62(74-75-73)70(90-60-48-85-69(92-65(60)66)57-37-22-9-23-38-57)86-47-58(79-41-51-25-10-3-11-26-51)63(81-43-53-29-14-5-15-30-53)59(80-42-52-27-12-4-13-28-52)49-88-93(76,87-40-24-39-72)89-50-61-64(82-44-54-31-16-6-17-32-54)67(83-45-55-33-18-7-19-34-55)68(71(78-2)91-61)84-46-56-35-20-8-21-36-56/h3-23,25-38,58-71H,24,40-50H2,1-2H3/t58?,59?,60-,61+,62-,63?,64+,65+,66-,67-,68+,69+,70-,71+,93?/m1/s1 |
| InChIKey | JNHFAEKGRKESHP-IOVUKDRCSA-N |
| Literature Reference Author | H.QIN,T.B.GRINDLEY |
| Literature Reference Citation | CAN.J.CHEM.,77,481(1999) |
| Literature Reference DOI | 10.1139/cjc-77-4-481 |
| Molecular Weight | 1291.399 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5106 |