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Homecas4360-12-7

4360-12-7

4360-12-7 structural image
Product Name: AJMALINE
Formula: C20H26N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 172.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 326.4 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 326.199428076 g/mol
Monoisotopic Mass 326.199428076 g/mol
Topological Polar Surface Area 46.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 570
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
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

Ajmaline is a natural product found in Rauvolfia yunnanensis, Rauvolfia balansae, and other organisms with data available.