| SpectraBase Compound ID | Ctyawxpdlpd |
|---|---|
| InChI | InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17-,18-,19-/m1/s1 |
| InChIKey | YVCVYCSAAZQOJI-HAFFEQERSA-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 | C2WZYgPSq0w |
|---|---|
| Name | 4'-Demethyl-Isopodophyllotoxin |
| Alternate Name(s) | (5S,5aS,8aS,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aS,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aS,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O8 |
| InChI | InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17-,18-,19-/m1/s1 |
| InChIKey | YVCVYCSAAZQOJI-HAFFEQERSA-N |
| Molecular Weight | 400.383 g/mol |
| SMILES | Oc1c(cc([C@@]2(c3c([C@]([C@]4([C@]2(C(OC4)=O)[H])[H])(O)[H])cc2c(c3)OCO2)[H])cc1OC)OC |
| SPLASH | splash10-0udi-0001900000-0eb054dbc7325f915fde |
| Source of Spectrum | X2-54-1424-1 |
| Wiley ID | 1604245 |