| SpectraBase Compound ID | Kope47ehlGP |
|---|---|
| InChI | InChI=1S/C26H32O9/c1-13(27)35-23-15-10-20(30-4)25(32-6)26(33-7)22(15)21(16-11-34-12-17(16)23)14-8-18(28-2)24(31-5)19(9-14)29-3/h8-10,16-17,21,23H,11-12H2,1-7H3/t16-,17-,21+,23+/m1/s1 |
| InChIKey | HYTRXFXLKNANPP-RVLCIERPSA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C26H32O9 |
| Exact Mass | 488.204633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8bmsCFvg9qb |
|---|---|
| Name | Aglacin A |
| Alternate Name(s) | Acetic acid [(3aS,4R,9R,9aS)-5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f]isobenzofuran-9-yl] ester [(3aS,4R,9R,9aS)-5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-9-yl] acetate [(3aS,4R,9R,9aS)-5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f]isobenzofuran-9-yl] acetate [(3aS,4R,9R,9aS)-5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-9-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H32O9 |
| InChI | InChI=1S/C26H32O9/c1-13(27)35-23-15-10-20(30-4)25(32-6)26(33-7)22(15)21(16-11-34-12-17(16)23)14-8-18(28-2)24(31-5)19(9-14)29-3/h8-10,16-17,21,23H,11-12H2,1-7H3/t16-,17-,21+,23+/m1/s1 |
| InChIKey | HYTRXFXLKNANPP-RVLCIERPSA-N |
| Molecular Weight | 488.533 g/mol |
| SMILES | c12c([C@](OC(=O)C)([C@]3([C@]([C@@]2(c2cc(OC)c(c(c2)OC)OC)[H])(COC3)[H])[H])[H])cc(c(c1OC)OC)OC |
| SPLASH | splash10-0016-9100300000-704bfcb8ef65bd029c45 |
| Source of Spectrum | G4-64-1525-1 |
| Wiley ID | 1609344 |