58969-45-2
Product Name:
20-Ethyl-1α,16β-dimethoxy-4-[[[2-(acetylamino)benzoyl]oxy]methyl]aconitane-8,14α-diol
Formula:
C32H44N2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 568.7 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 568.31485175 g/mol |
| Monoisotopic Mass | 568.31485175 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| 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
Aconorine is a natural product found in Aconitum orientale and Aconitum talassicum with data available.