![(5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone](/api/spectrum/2VATLInRqtC/structure.png?h=300&w=458 "(5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofurano[5,6-f][1,3]benzodioxole-5,8-quinone")
| SpectraBase Compound ID | 1bMmHyRJOWr |
|---|---|
| InChI | InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19+/m0/s1 |
| InChIKey | ISCQYPPCSYRZOT-MJXNMMHHSA-N |
| Mol Weight | 412.39 g/mol |
| Molecular Formula | C22H20O8 |
| Exact Mass | 412.115818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2VATLInRqtC |
|---|---|
| Name | (+-)-Picropodophylone |
| Alternate Name(s) | (5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione (5aR,8aS,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H20O8 |
| InChI | InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19+/m0/s1 |
| InChIKey | ISCQYPPCSYRZOT-MJXNMMHHSA-N |
| Molecular Weight | 412.394 g/mol |
| SMILES | [C@@]12([C@]([C@](c3cc(OC)c(c(c3)OC)OC)(c3c(C1=O)cc1c(OCO1)c3)[H])(C(=O)OC2)[H])[H] |
| SPLASH | splash10-0uxr-2349000000-6c9116b0fd36b513d547 |
| Source of Spectrum | KC-61-5320-2 |
| Wiley ID | 1629368 |