| SpectraBase Compound ID | 9uSCNyYqyeG |
|---|---|
| InChI | InChI=1S/C77H79ClO18/c1-52-64(92-63(79)43-78)69(93-73(80)59-39-23-9-24-40-59)72(94-74(81)60-41-25-10-26-42-60)77(89-52)96-66-62(51-84-45-54-29-13-4-14-30-54)91-76(71(88-49-58-37-21-8-22-38-58)68(66)86-47-56-33-17-6-18-34-56)95-65-61(50-83-44-53-27-11-3-12-28-53)90-75(82-2)70(87-48-57-35-19-7-20-36-57)67(65)85-46-55-31-15-5-16-32-55/h3-42,52,61-62,64-72,75-77H,43-51H2,1-2H3/t52-,61-,62-,64+,65-,66-,67+,68+,69+,70-,71-,72-,75-,76+,77+/m1/s1 |
| InChIKey | ZNLOYWDFHRFUGW-RGVIIFCTSA-N |
| Mol Weight | 1327.9 g/mol |
| Molecular Formula | C77H79ClO18 |
| Exact Mass | 1326.495493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KyjHYPruKSr |
|---|---|
| Name | METHYL-O-(2,3-DI-O-BENZOYL-4-O-CHLOROACETYL-6-DEOXY-BETA-D-GALACTOSYL)-(1->4)-O-(2,3,6-TRI-O-BENZYL-BETA-D-GLUCOSYL)-(1->4)-2,3,6-TRI-O-BENZYL-BET |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H79ClO18 |
| InChI | InChI=1S/C77H79ClO18/c1-52-64(92-63(79)43-78)69(93-73(80)59-39-23-9-24-40-59)72(94-74(81)60-41-25-10-26-42-60)77(89-52)96-66-62(51-84-45-54-29-13-4-14-30-54)91-76(71(88-49-58-37-21-8-22-38-58)68(66)86-47-56-33-17-6-18-34-56)95-65-61(50-83-44-53-27-11-3-12-28-53)90-75(82-2)70(87-48-57-35-19-7-20-36-57)67(65)85-46-55-31-15-5-16-32-55/h3-42,52,61-62,64-72,75-77H,43-51H2,1-2H3/t52-,61-,62-,64+,65-,66-,67+,68+,69+,70-,71-,72-,75-,76+,77+/m1/s1 |
| InChIKey | ZNLOYWDFHRFUGW-RGVIIFCTSA-N |
| Literature Reference Author | R.V.STICK,D.M.G.TILBROOK,S.J.WILLIAMS |
| Literature Reference Citation | AUSTR.J.CHEM.,52,895(1999) |
| Literature Reference DOI | 10.1071/CH99031 |
| Molecular Weight | 1327.916 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU4935 |