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| IUPAC Name: | (5R,5aR,8aR,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 |
| Description: | 4'-Demethylpodophyllotoxin is an aryltetralin lignin isolated from the root of Podophyllum hexandrum and P. peltatum. 4'-Demethylpodophyllotoxin exhibits anti-tumor activity. |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C21H20O8 |
| Canonical SMILES: | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O |
| 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-/m0/s1 |
| InChI Key: | YVCVYCSAAZQOJI-BTINSWFASA-N |
| Boiling Point: | 626.5 °C at 760 mmHg |
| Density: | 1.446 g/cm3 |
| Solubility: | Soluble in methanol, acetontrile, DMSO. |
| Appearance: | White to off-white solid |
| Storage: | 2-8 °C |
| LogP: | 2.10620 |
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