| SpectraBase Compound ID | LJ3zf0sTh4f |
|---|---|
| InChI | InChI=1S/C68H62O23/c1-79-66-52(71)51(70)50(69)47(83-66)37-81-67-57(90-64(77)45-33-19-7-20-34-45)56(89-63(76)44-31-17-6-18-32-44)54(87-61(74)42-27-13-4-14-28-42)49(85-67)39-82-68-58(91-65(78)46-35-21-8-22-36-46)55(88-62(75)43-29-15-5-16-30-43)53(86-60(73)41-25-11-3-12-26-41)48(84-68)38-80-59(72)40-23-9-2-10-24-40/h2-36,47-58,66-71H,37-39H2,1H3/t47-,48-,49+,50-,51+,52-,53-,54+,55+,56-,57+,58-,66-,67+,68-/m1/s1 |
| InChIKey | CGTVIQOZTAAIOS-NHRJYGNNSA-N |
| Mol Weight | 1247.2 g/mol |
| Molecular Formula | C68H62O23 |
| Exact Mass | 1246.368188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcvGiEHflVx |
|---|---|
| Name | METHYL-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZOYL-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H62O23 |
| InChI | InChI=1S/C68H62O23/c1-79-66-52(71)51(70)50(69)47(83-66)37-81-67-57(90-64(77)45-33-19-7-20-34-45)56(89-63(76)44-31-17-6-18-32-44)54(87-61(74)42-27-13-4-14-28-42)49(85-67)39-82-68-58(91-65(78)46-35-21-8-22-36-46)55(88-62(75)43-29-15-5-16-30-43)53(86-60(73)41-25-11-3-12-26-41)48(84-68)38-80-59(72)40-23-9-2-10-24-40/h2-36,47-58,66-71H,37-39H2,1H3/t47-,48-,49+,50-,51+,52-,53-,54+,55+,56-,57+,58-,66-,67+,68-/m1/s1 |
| InChIKey | CGTVIQOZTAAIOS-NHRJYGNNSA-N |
| Literature Reference Author | A.MAGGI,R.MADSEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,2683(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300026 |
| Molecular Weight | 1247.226 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT18532 |