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108214-28-4

108214-28-4 structural image
Product Name: 16-O-METHYL-CAFESTOL
Formula: C21H30O3
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COMPUTED DESCRIPTORS

Molecular Weight 330.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 330.21949481 g/mol
Monoisotopic Mass 330.21949481 g/mol
Topological Polar Surface Area 42.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 521
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

16-O-Methylcafestol is a natural product found in Coffea arabica, Coffea liberica, and other organisms with data available.