580-49-4
Product Name:
6-(1-Acetoxy-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one
Formula:
C17H22O5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2383 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 306.4 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 306.14672380 g/mol |
| Monoisotopic Mass | 306.14672380 g/mol |
| Topological Polar Surface Area | 69.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 545 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Xanthinin is a natural product found in Xanthium spinosum, Xanthium orientale, and other organisms with data available.