| SpectraBase Compound ID | DHoeKP8FWCl |
|---|---|
| InChI | InChI=1S/C34H42O8S/c1-32(2,3)25-16-14-23(15-17-25)27(19-21-12-13-22-10-8-9-11-24(22)18-21)43(35,36)42-29-28(26-20-37-33(4,5)39-26)38-31-30(29)40-34(6,7)41-31/h8-18,26-31H,19-20H2,1-7H3/t26-,27-,28-,29-,30-,31-/m1/s1 |
| InChIKey | AFLIJJUJGDQKKP-WFSCRAEGSA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C34H42O8S |
| Exact Mass | 610.260039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5wd12MmRFV1 |
|---|---|
| Name | 1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-1-(4-tert-Bytylphenyl)-2-(naphthalen-2-yl)ethanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H42O8S |
| InChI | InChI=1S/C34H42O8S/c1-32(2,3)25-16-14-23(15-17-25)27(19-21-12-13-22-10-8-9-11-24(22)18-21)43(35,36)42-29-28(26-20-37-33(4,5)39-26)38-31-30(29)40-34(6,7)41-31/h8-18,26-31H,19-20H2,1-7H3/t26-,27-,28-,29-,30-,31-/m1/s1 |
| InChIKey | AFLIJJUJGDQKKP-WFSCRAEGSA-N |
| Molecular Weight | 610.762 g/mol |
| SMILES | [C@@]1(OS([C@@](c2ccc(C(C)(C)C)cc2)(Cc2cc3ccccc3cc2)[H])(=O)=O)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H] |
| SPLASH | splash10-000i-0290000000-8b8689cda04d60f35510 |
| Source of Spectrum | KC-61-3240-20 |
| Synonyms | (1R)-1-(4-tert-butylphenyl)-2-(2-naphthalenyl)ethanesulfonic acid [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (1R)-1-(4-tert-butylphenyl)-2-naphthalen-2-ylethanesulfonate [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (1R)-1-(4-tert-butylphenyl)-2-(2-naphthyl)ethanesulfonate [(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (1R)-1-(4-tert-butylphenyl)-2-naphthalen-2-yl-ethanesulfonate |
| Wiley ID | 1628332 |