| SpectraBase Spectrum ID |
G0rXbIy2fOf |
| Name |
.beta.-D-Glucopyranosylamine, o-2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-o-2,3,6-tri-o-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-o-2,3,6-tri-o-acetyl-.beta.-D-glucopyranosyl-(1.fwdarw.4)-N-(4-methylphenyl)-, 2,3,6-triacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1301.422133846 u |
| Formula |
C57H75NO33 |
| InChI |
InChI=1S/C57H75NO33/c1-23-15-17-37(18-16-23)58-54-50(81-33(11)68)46(77-29(7)64)43(38(85-54)19-72-24(2)59)89-56-52(83-35(13)70)48(79-31(9)66)45(40(87-56)21-74-26(4)61)91-57-53(84-36(14)71)49(80-32(10)67)44(41(88-57)22-75-27(5)62)90-55-51(82-34(12)69)47(78-30(8)65)42(76-28(6)63)39(86-55)20-73-25(3)60/h15-18,38-58H,19-22H2,1-14H3 |
| InChIKey |
UQGBKZWSFVRQGJ-UHFFFAOYSA-N |
| Molecular Weight |
1302.201 g/mol |
| SMILES |
C1=CC(=CC=C1N[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC1C(C(C(C(O1)COC(C)=O)OC1C(C(C(C(COC(C)=O)O1)OC1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C |
