| SpectraBase Compound ID | CTPFxePtGEW |
|---|---|
| InChI | InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17+/m0/s1 |
| InChIKey | JGGWNGRBXJWAOC-LZVXQISVSA-N |
| Mol Weight | 400.38 g/mol |
| Molecular Formula | C21H20O8 |
| Exact Mass | 400.115818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 88jqlTmZYRo |
|---|---|
| Name | .alpha.-Peltatin-B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O8 |
| InChI | InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17+/m0/s1 |
| InChIKey | JGGWNGRBXJWAOC-LZVXQISVSA-N |
| Molecular Weight | 400.383 g/mol |
| SMILES | Oc1c2c([C@@](c3cc(c(c(c3)OC)O)OC)([C@]3([C@@](C2)(COC3=O)[H])[H])[H])cc2c1OCO2 |
| SPLASH | splash10-0udi-1223900000-5f06e23e3b72c1f57174 |
| Source of Spectrum | E1-39-93-17 |
| Synonyms | (5aR,8aS,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5aR,8aS,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one (5aR,8aS,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-4-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Wiley ID | 1598629 |