Podophyllotoxone
(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Also Known As: Podophyllotoxone|Podophyllotoxinone|(-)-podophyllotoxon|SureCN986475|Podophyllotoxin EP Impurity C|WLZ4639|HY-N2415|Podophyllotoxin EP Impurity C (Podophyllotoxone)|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione|(11R,15R,16R)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-triene-10,14-dione|(11R,15R,16R)-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-triene-10,14-dione|(5aR)-5aalpha,6,8abeta,9-Tetrahydro-9alpha-(3,4,5-trimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione|(5aR,8aR,9R)-5a,6,8a,9-Tetrahydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-(2)benzofuro(5,6-f)(1,3)benzodioxole-5,8-dione|(5aR,8aR,9R)-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione|(5AR,8AR,9R)-9-(3,4,5-TRIMETHOXYPHENYL)-5A,6,8A,9-TETRAHYDROISOBENZOFURANO[5,6-F][1,3]BENZODIOXOLE-5,8-DIONE|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro(5,6-f)(1,3)benzodioxole-5,8-dione|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione|(5R)-5,5aalpha,8,8abeta-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6,9-dione|(5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6(5aalphaH),9-dione|(5R)-5aalpha,8abeta-Dihydro-5beta-(3,4,5-trimethoxyphenyl)furo[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6,9(5H,8H)-dione|(5R)-5beta-(3,4,5-Trimethoxyphenyl)-5,8,8abeta,9-tetrahydrofuro[3 ,4 :6,7]naphtho[2,3-d]-1,3-dioxole-6,9(5aalphaH)-dione|9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione|Podophyllotoxone; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5aR,8aR,9R)-; Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-5,8-dione, 5a,6,8a,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, [5aR-(5aa,8ass,9a)]-; Podophyllotox
| Molecular Formula | C22H20O8 |
|---|---|
| Molecular Weight | 412.1158 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1158 |
| Monoisotopic Mass | 412.1158 |
| Heavy Atoms | 30 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 477-49-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
| InChIKey | ISCQYPPCSYRZOT-BKTGTZMESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Podophyllotoxone (CAS 477-49-6), with molecular formula C22H20O8 and molecular weight 412.1158 g/mol. IUPAC: (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione.