6874-80-2
Product Name:
1H-Pyrrole-2-carboxylic acid= (2S)-1,3,4,7,7aα,8,9,10,11,13,14,14aβ-dodecahydro-11-oxo-7α,14α-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2β-yl ester
Formula:
C20H27N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 357.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 357.20524173 g/mol |
| Monoisotopic Mass | 357.20524173 g/mol |
| Topological Polar Surface Area | 65.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 583 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Calpurnine is a natural product found in Stirtonanthus insignis, Podalyria, and other organisms with data available.