| SpectraBase Compound ID | Gmx8kMI711s |
|---|---|
| InChI | InChI=1S/C77H67ClO25/c1-89-75-65(100-73(87)52-38-22-8-23-39-52)63(99-72(86)51-36-20-7-21-37-51)61(56(93-75)45-92-68(82)47-28-12-3-13-29-47)102-77-66(101-74(88)53-40-24-9-25-41-53)64(60(55(95-77)43-90-57(79)42-78)97-70(84)49-32-16-5-17-33-49)103-76-62(98-71(85)50-34-18-6-19-35-50)58(80)59(96-69(83)48-30-14-4-15-31-48)54(94-76)44-91-67(81)46-26-10-2-11-27-46/h2-41,54-56,58-66,75-77,80H,42-45H2,1H3/t54-,55-,56-,58+,59+,60+,61-,62-,63+,64+,65+,66-,75+,76+,77+/m1/s1 |
| InChIKey | HIUHUGPMRXYDLS-HLQHUYQDSA-N |
| Mol Weight | 1427.8 g/mol |
| Molecular Formula | C77H67ClO25 |
| Exact Mass | 1426.365995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xxcwjc60K1 |
|---|---|
| Name | METHYL-2,4,6-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->3)-2,4-DI-O-BENZOYL-6-O-CHLOROACETYL-BETA-D-GALACTOPYRANOSYL-(1->4) |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H67ClO25 |
| InChI | InChI=1S/C77H67ClO25/c1-89-75-65(100-73(87)52-38-22-8-23-39-52)63(99-72(86)51-36-20-7-21-37-51)61(56(93-75)45-92-68(82)47-28-12-3-13-29-47)102-77-66(101-74(88)53-40-24-9-25-41-53)64(60(55(95-77)43-90-57(79)42-78)97-70(84)49-32-16-5-17-33-49)103-76-62(98-71(85)50-34-18-6-19-35-50)58(80)59(96-69(83)48-30-14-4-15-31-48)54(94-76)44-91-67(81)46-26-10-2-11-27-46/h2-41,54-56,58-66,75-77,80H,42-45H2,1H3/t54-,55-,56-,58+,59+,60+,61-,62-,63+,64+,65+,66-,75+,76+,77+/m1/s1 |
| InChIKey | HIUHUGPMRXYDLS-HLQHUYQDSA-N |
| Literature Reference Author | A.V.NIKOLAEV,G.M.WATT,M.A.J.FERGUSON,J.S.BRIMACOMBE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,969(1997) |
| Literature Reference DOI | 10.1039/a603800j |
| Molecular Weight | 1427.817 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9789 |