641-25-8
Product Name:
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R,5aS,8aR)-
Formula:
C22H22O8
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 414.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.13146766 g/mol |
| Monoisotopic Mass | 414.13146766 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 629 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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
(5aR,8aS,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one is a natural product found in Juniperus sabina with data available.