522-79-2
Product Name:
Yohimban-16-carboxylic acid, 18-hydroxy-11-methoxy-17-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)- (9CI)
Formula:
C32H38N2O9
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COMPUTED DESCRIPTORS
| Molecular Weight | 594.7 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 594.25773079 g/mol |
| Monoisotopic Mass | 594.25773079 g/mol |
| Topological Polar Surface Area | 129 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 986 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |