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80111-95-1

80111-95-1 structural image
Product Name: Isariin B
Formula: C30H53N5O7
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COMPUTED DESCRIPTORS

Molecular Weight 595.8 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 595.39449905 g/mol
Monoisotopic Mass 595.39449905 g/mol
Topological Polar Surface Area 172 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 937
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 5
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

19-Hexyl-6-methyl-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone is a natural product found in Isaria with data available.