| SpectraBase Compound ID | IwQgO7KSv5C |
|---|---|
| InChI | InChI=1S/C9H14O6/c1-14-8-4(9(13)15-2)3-5(10)6(11)7(8)12/h3,5-8,10-12H,1-2H3/t5-,6-,7-,8+/m0/s1 |
| InChIKey | VUQJXZNNVAWIKZ-DKXJUACHSA-N |
| Mol Weight | 218.2 g/mol |
| Molecular Formula | C9H14O6 |
| Exact Mass | 218.079038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3w2kBfYVFJq |
|---|---|
| Name | Methyl (3S,4S,5S,6R)-6-methoxy-3,4,5-trihydroxy-1-cyclohexene-1-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O6 |
| InChI | InChI=1S/C9H14O6/c1-14-8-4(9(13)15-2)3-5(10)6(11)7(8)12/h3,5-8,10-12H,1-2H3/t5-,6-,7-,8+/m0/s1 |
| InChIKey | VUQJXZNNVAWIKZ-DKXJUACHSA-N |
| Molecular Weight | 218.205 g/mol |
| SMILES | O[C@]1([C@](C=C([C@]([C@]1(O)[H])(OC)[H])C(=O)OC)(O)[H])[H] |
| SPLASH | splash10-000i-0900000000-d906e348c41b7979152e |
| Source of Spectrum | F5-7-318-2 |
| Synonyms | Pericosine B (3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxy-1-cyclohexenecarboxylic acid methyl ester Methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxycyclohexene-1-carboxylate Methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxy-cyclohexene-1-carboxylate Methyl (3S,4S,5S,6R)-6-methoxy-3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Methyl (3R/S,4R/S),5R/S)-6-methoxy-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate (3S,4S,5S,6R)-methyl 3,4,5-trihydroxy-6-methoxycyclohex-1-enecarboxylate |
| Wiley ID | 1696826 |