87392-67-4
Product Name:
2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-
Formula:
C18H25NO5
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2406 2410 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 335.4 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 335.17327290 g/mol |
| Monoisotopic Mass | 335.17327290 g/mol |
| Topological Polar Surface Area | 76.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 590 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate is a natural product found in Delairea odorata and Jacobaea aquatica with data available.