| SpectraBase Compound ID | AgGKjT4qlgK |
|---|---|
| InChI | InChI=1S/C53H84O22/c1-22-46(32(55)16-39(66-22)70-28-9-11-51(5)27(14-28)7-8-30-31(51)15-37(59)52(6)29(10-12-53(30,52)64)26-13-38(60)65-21-26)72-40-17-33(56)47(23(2)67-40)73-41-18-34(57)48(24(3)68-41)74-42-19-35(58)49(25(4)69-42)75-50-45(63)44(62)43(61)36(20-54)71-50/h13,22-25,27-37,39-50,54-59,61-64H,7-12,14-21H2,1-6H3/t22?,23?,24?,25?,27-,28+,29-,30-,31+,32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51+,52+,53+/m1/s1 |
| InChIKey | KVNPLTVEEFRVSB-AIPYCKBPSA-N |
| Mol Weight | 1073.2 g/mol |
| Molecular Formula | C53H84O22 |
| Exact Mass | 1072.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HygD5pPhLA |
|---|---|
| Name | GLUCODIGOXOSIDE |
| CAS Registry Number | 68711-85-3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O22 |
| InChI | InChI=1S/C53H84O22/c1-22-46(32(55)16-39(66-22)70-28-9-11-51(5)27(14-28)7-8-30-31(51)15-37(59)52(6)29(10-12-53(30,52)64)26-13-38(60)65-21-26)72-40-17-33(56)47(23(2)67-40)73-41-18-34(57)48(24(3)68-41)74-42-19-35(58)49(25(4)69-42)75-50-45(63)44(62)43(61)36(20-54)71-50/h13,22-25,27-37,39-50,54-59,61-64H,7-12,14-21H2,1-6H3/t22?,23?,24?,25?,27-,28+,29-,30-,31+,32?,33?,34?,35?,36?,37-,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51+,52+,53+/m1/s1 |
| InChIKey | KVNPLTVEEFRVSB-AIPYCKBPSA-N |
| Literature Reference Author | D.KRUEGER,M.WICHTL |
| Literature Reference Citation | PLANTA.MED.,50,265(1984) |
| Literature Reference DOI | 10.1055/s-2007-969696 |
| Molecular Weight | 1073.237 g/mol |
| Solvent | CDCl3:CH3OH |
| Source File Reference | UNIW16734 |