| SpectraBase Compound ID | 3NNiZ3n8zPE |
|---|---|
| InChI | InChI=1S/C41H39FO6/c42-35-36(44-26-30-16-6-1-7-17-30)38(45-27-31-18-8-2-9-19-31)40(47-29-33-22-12-4-13-23-33)39(46-28-32-20-10-3-11-21-32)37(35)48-41(43)34-24-14-5-15-25-34/h1-25,35-40H,26-29H2/t35-,36-,37+,38+,39-,40-/m0/s1 |
| InChIKey | CZPBDUWYAHMLTC-PHANLHFBSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C41H39FO6 |
| Exact Mass | 646.273067 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3Z88mJhGvt |
|---|---|
| Name | DL-2-O-Benzoyl-3,4,5,6-tetra-O-benzyl-1-deoxy-1-fluoro-scylloinositol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H39FO6 |
| InChI | InChI=1S/C41H39FO6/c42-35-36(44-26-30-16-6-1-7-17-30)38(45-27-31-18-8-2-9-19-31)40(47-29-33-22-12-4-13-23-33)39(46-28-32-20-10-3-11-21-32)37(35)48-41(43)34-24-14-5-15-25-34/h1-25,35-40H,26-29H2/t35-,36-,37+,38+,39-,40-/m0/s1 |
| InChIKey | CZPBDUWYAHMLTC-PHANLHFBSA-N |
| Molecular Weight | 646.755 g/mol |
| SMILES | [C@]1([C@@]([C@@](OCc2ccccc2)([C@@]([C@]([C@@]1(F)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(OC(=O)c1ccccc1)[H] |
| SPLASH | splash10-0006-9000000000-679e8d1d47d438894513 |
| Source of Spectrum | KC-0-1848-14 |
| Synonyms | (1S,2R,3S,4S,5R,6S)-2,3,4,5-tetrakis(benzyloxy)-6-fluorocyclohexyl benzoate benzoic acid [(1S,2S,3R,4S,5S,6R)-2-fluoro-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] ester [(1S,2S,3R,4S,5S,6R)-2-fluoro-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate [(1S,2R,3S,4S,5R,6S)-2,3,4,5-tetrabenzyloxy-6-fluoro-cyclohexyl] benzoate [(1S,2S,3R,4S,5S,6R)-2-fluoranyl-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate |
| Wiley ID | 786109 |