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53-18-9

53-18-9 structural image
Product Name: bietaserpine
Formula: C39H53N3O9
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COMPUTED DESCRIPTORS

Molecular Weight 707.9 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 15
Exact Mass 707.37818028 g/mol
Monoisotopic Mass 707.37818028 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1150
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

PRODUCT INTRODUCTION

description

(1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester is a yohimban alkaloid.