| SpectraBase Compound ID | G1Su8ll5grO |
|---|---|
| InChI | InChI=1S/C19H22O9/c1-25-18(23)12-8-28-19(24)17-11(12)7-16(22)27-9-15(17)26-5-4-10-2-3-13(20)14(21)6-10/h2-3,6,8,11,15,17,19-21,24H,4-5,7,9H2,1H3/t11-,15-,17+,19-/m1/s1 |
| InChIKey | NPXNCEUATMBJHB-XIANHYIHSA-N |
| Mol Weight | 394.38 g/mol |
| Molecular Formula | C19H22O9 |
| Exact Mass | 394.126382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpPimkJnx0b |
|---|---|
| Name | Jasmolactone B |
| Alternate Name(s) | (1R,4aS,9S,9aS)-9-[2-(3,4-dihydroxyphenyl)ethoxy]-1-hydroxy-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepin-4-carboxylic acid methyl ester Methyl (1R,4aS,9S,9aS)-9-[2-(3,4-dihydroxyphenyl)ethoxy]-1-hydroxy-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate Methyl (1R,4aS,9S,9aS)-9-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-1-oxidanyl-6-oxidanylidene-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H22O9 |
| InChI | InChI=1S/C19H22O9/c1-25-18(23)12-8-28-19(24)17-11(12)7-16(22)27-9-15(17)26-5-4-10-2-3-13(20)14(21)6-10/h2-3,6,8,11,15,17,19-21,24H,4-5,7,9H2,1H3/t11-,15-,17+,19-/m1/s1 |
| InChIKey | NPXNCEUATMBJHB-XIANHYIHSA-N |
| Molecular Weight | 394.376 g/mol |
| SMILES | Oc1cc(ccc1O)CCO[C@]1([C@@]2([C@@](C(=CO[C@]2(O)[H])C(=O)OC)(CC(OC1)=O)[H])[H])[H] |
| SPLASH | splash10-000i-0900000000-ebc9464a8fb1c75c9340 |
| Source of Spectrum | X2-52-1069-2 |
| Wiley ID | 1603281 |