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Homecas99486-49-4

99486-49-4

99486-49-4 structural image
Product Name: myrotoxin B
Formula: C29H34O11
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COMPUTED DESCRIPTORS

Molecular Weight 558.6 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 2
Exact Mass 558.21011190 g/mol
Monoisotopic Mass 558.21011190 g/mol
Topological Polar Surface Area 143 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 1250
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

CID 122361556 is a natural product found in Paramyrothecium roridum with data available.