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52329-20-1

52329-20-1 structural image
Product Name: 6α-chloro-5β-hydroxywithaferin A
Formula: C28H39ClO6
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COMPUTED DESCRIPTORS

Molecular Weight 507.1 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 506.2435167 g/mol
Monoisotopic Mass 506.2435167 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 990
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
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

6alpha-Chloro-5beta-hydroxywithaferin A is a natural product found in Vassobia breviflora, Withania somnifera, and Withania aristata with data available.