| SpectraBase Compound ID | FLefaiP4ONI |
|---|---|
| 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 |
| InChIKey | JGGWNGRBXJWAOC-UHFFFAOYSA-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 | 2xEX14GWD0O |
|---|---|
| Name | .alpha.-Peltatin |
| CAS Registry Number | 568-53-6 |
| Copyright | Copyright © 2020-2024 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 |
| InChIKey | JGGWNGRBXJWAOC-UHFFFAOYSA-N |
| Molecular Weight | 400.383 g/mol |
| SMILES | Oc1c(cc(C2C3C(OCC3Cc3c(c4c(cc23)OCO4)O)=O)cc1OC)OC |
| SPLASH | splash10-0udi-0584900000-55845200e17dfc502db3 |
| Source of Spectrum | CD-551-0-0 |
| Synonyms | 10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one 4-Hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one 4-Hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 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 | 1369330 |