Deoxypodophyllotoxin
(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Also Known As: Deoxypodophyllotoxin|Anthricin|Silicicolin|Desoxypodophyllotoxin|Hernandion|Hernandin|4-Deoxypodophyllotoxin|(-)-Deoxypodophyllotoxin|Isoanthricin|(-)-Anthricin|Anthriscin|(-)-Desoxypodophyllotoxin|Isodeoxypodophyllotoxin|podophyllotoxin, deoxy|Podophyllotoxin, deoxy-|Podophyllotoxin Impurity 1|Deoxypodophyllic acid lactone|Podophyllotoxin, 7CI, 8CI)|Deoxypodophyllotoxin (Anthricin)|AS 2-3|EX-A2905|HY-N2500|NP3948|TN1087
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.13657 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13657 |
| Monoisotopic Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 100348-38-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O |
| InChIKey | ZGLXUQQMLLIKAN-SVIJTADQSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deoxypodophyllotoxin (CAS 100348-38-7), with molecular formula C22H22O7 and molecular weight 398.13657 g/mol. IUPAC: (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.
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