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92594-03-1

92594-03-1 structural image
Product Name: rollinone
Formula: C37H66O7
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COMPUTED DESCRIPTORS

Molecular Weight 622.9 g/mol
XLogP3 9.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 25
Exact Mass 622.48085444 g/mol
Monoisotopic Mass 622.48085444 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 788
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 8
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5-[11-Hydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one is a natural product found in Annona papilionella, Annona squamosa, and Annona reticulata with data available.