40456-50-6
Product Name:
(3R)-3α-(3,4,5-Trimethoxybenzyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
Formula:
C22H24O7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 3225.8 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 400.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 400.15220310 g/mol |
| Monoisotopic Mass | 400.15220310 g/mol |
| Topological Polar Surface Area | 72.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 541 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dihydroanhydropodorhizol is a member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively. It has a role as a plant metabolite. It is a lignan, a butan-4-olide, a member of methoxybenzenes and a member of benzodioxoles.