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31222-32-9

31222-32-9 structural image
Product Name: CIMIGENONE
Formula: C30H46O5
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COMPUTED DESCRIPTORS

Molecular Weight 486.7 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 486.33452456 g/mol
Monoisotopic Mass 486.33452456 g/mol
Topological Polar Surface Area 76 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 1000
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

Cimigenol-3-one is a natural product found in Actaea elata and Actaea cimicifuga with data available.