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69573-60-0

69573-60-0 structural image
Product Name: Octadecyl caffeate
Formula: C27H44O4
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COMPUTED DESCRIPTORS

Molecular Weight 432.6 g/mol
XLogP3 11.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 20
Exact Mass 432.32395988 g/mol
Monoisotopic Mass 432.32395988 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 449
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Octadecyl caffeate is a natural product found in Nepenthes thorelii, Paeonia suffruticosa, and other organisms with data available.