Podorhizol
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Podorhizol|Epipodorhizol|(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one|(3alpha(R*),4beta)-(+-)-4-(1,3-Benzodioxol-5-ylmethyl)-dihydro-3-(hydroxy(3,4,5-trimethoxyphenyl)methyl)-2(3H)-furanone|(3S)-3alpha-[(R)-alpha-Hydroxy-3,4,5-trimethoxybenzyl]-4beta-piperonyldihydrofuran-2(3H)-one|(3S,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(R)-hydroxy(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
| Molecular Formula | C22H24O8 |
|---|---|
| Molecular Weight | 416.14713 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.14713 |
| Monoisotopic Mass | 416.14713 |
| Heavy Atoms | 30 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 59366-91-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]([C@@H]2[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)O |
| InChIKey | UNWCWBJEKCTIML-GKCIPKSASA-N |
Product Overview
Podorhizol (CAS 59366-91-5), with molecular formula C22H24O8 and molecular weight 416.14713 g/mol. IUPAC: (3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(R)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one.