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52898-98-3

52898-98-3 structural image
Product Name: SESQUITERPENE,STEARICACIDESTER
Formula: C33H52O2
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COMPUTED DESCRIPTORS

Molecular Weight 480.8 g/mol
XLogP3 11.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 20
Exact Mass 480.396730897 g/mol
Monoisotopic Mass 480.396730897 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 777
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Octadecanoic acid, (6,7-dihydro-4-methyl-7-(1-methylethenyl)-1-azulenyl)methyl ester is a natural product found in Lactarius chrysorrheus with data available.