| SpectraBase Compound ID | Ddw37ysS8Ln |
|---|---|
| InChI | InChI=1S/C48H38O12/c49-43(33-19-7-1-8-20-33)55-31-39(57-45(51)35-23-11-3-12-24-35)41(59-47(53)37-27-15-5-16-28-37)42(60-48(54)38-29-17-6-18-30-38)40(58-46(52)36-25-13-4-14-26-36)32-56-44(50)34-21-9-2-10-22-34/h1-30,39-42H,31-32H2/t39-,40+,41-,42-/m1/s1 |
| InChIKey | LDCRTWOPHMRXIF-SZRGUQLDSA-N |
| Mol Weight | 806.8 g/mol |
| Molecular Formula | C48H38O12 |
| Exact Mass | 806.236327 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G6bit51NdbK |
|---|---|
| Name | D-Glucitol, hexabenzoate |
| Alternate Name(s) | Hexa-O-benzoyl-D-glucitol 1,2,3,4,5,6-hexa-O-benzoyl-D-glucitol D-glucitol-perbenzoate [(2R,3R,4R,5S)-2,3,4,5,6-pentabenzoyloxyhexyl] benzoate [(2R,3R,4R,5S)-2,3,4,5,6-pentakis(phenylcarbonyloxy)hexyl] benzoate |
| CAS Registry Number | 20869-38-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H38O12 |
| InChI | InChI=1S/C48H38O12/c49-43(33-19-7-1-8-20-33)55-31-39(57-45(51)35-23-11-3-12-24-35)41(59-47(53)37-27-15-5-16-28-37)42(60-48(54)38-29-17-6-18-30-38)40(58-46(52)36-25-13-4-14-26-36)32-56-44(50)34-21-9-2-10-22-34/h1-30,39-42H,31-32H2/t39-,40+,41-,42-/m1/s1 |
| InChIKey | LDCRTWOPHMRXIF-SZRGUQLDSA-N |
| Molecular Weight | 806.820 g/mol |
| SMILES | [C@]([C@](OC(=O)c1ccccc1)([C@](OC(=O)c1ccccc1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)([C@@](OC(=O)c1ccccc1)(COC(=O)c1ccccc1)[H])[H] |
| SPLASH | splash10-0a4i-0910000000-53d24aa359f42a819d0c |
| Source of Spectrum | O-26-800-2 |
| Wiley ID | 1417238 |