| SpectraBase Compound ID | Ea4fmmRNFNg |
|---|---|
| InChI | InChI=1S/C20H17IO6/c21-14-11-15(26-19(24)12-7-3-1-4-8-12)18(17(23)16(14)22)27-20(25)13-9-5-2-6-10-13/h1-11,15-18,22-23H/t15-,16-,17-,18-/m1/s1 |
| InChIKey | IQKSGKCXFBSUGQ-BRSBDYLESA-N |
| Mol Weight | 480.25 g/mol |
| Molecular Formula | C20H17IO6 |
| Exact Mass | 480.006983 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IGwT92KxdND |
|---|---|
| Name | (1R,2S,5R,6S)-2-(Benzoyloxy)-4-iodo-5,6-dihydroxy-3-cyclohexenyl - Benzoate |
| Alternate Name(s) | 2-(Benzoyloxy)-4-iodo-5,6-dihydroxy-3-cyclohexenyl - Benzoate (1S,2R,5S,6R)-5,6-dihydroxy-4-iodocyclohex-3-ene-1,2-diyl dibenzoate Benzoic acid [(1R,4S,5R,6S)-6-benzoyloxy-4,5-dihydroxy-3-iodo-1-cyclohex-2-enyl] ester [(1R,4S,5R,6S)-6-benzoyloxy-4,5-dihydroxy-3-iodocyclohex-2-en-1-yl] benzoate [(1R,4S,5R,6S)-6-benzoyloxy-4,5-dihydroxy-3-iodo-cyclohex-2-en-1-yl] benzoate [(1R,4S,5R,6S)-3-iodanyl-4,5-bis(oxidanyl)-6-(phenylcarbonyloxy)cyclohex-2-en-1-yl] benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H17IO6 |
| InChI | InChI=1S/C20H17IO6/c21-14-11-15(26-19(24)12-7-3-1-4-8-12)18(17(23)16(14)22)27-20(25)13-9-5-2-6-10-13/h1-11,15-18,22-23H/t15-,16-,17-,18-/m1/s1 |
| InChIKey | IQKSGKCXFBSUGQ-BRSBDYLESA-N |
| Molecular Weight | 480.254 g/mol |
| SMILES | O[C@@]1(C(=C[C@]([C@]([C@@]1(O)[H])(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])I)[H] |
| SPLASH | splash10-0081-2933100000-65f9df258841030b8795 |
| Source of Spectrum | F5-3-1959-18 |
| Wiley ID | 1732337 |