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79120-98-2

79120-98-2 structural image
Product Name: (+)-BETA-FUNEBRENE
Formula: C15H24
Synonyms: (+)-1,7-Diepi-β-cedrene
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1418 1418

COMPUTED DESCRIPTORS

Molecular Weight 204.35 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 204.187800766 g/mol
Monoisotopic Mass 204.187800766 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 312
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

(1R,2R,5S,7R)-2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane is a natural product found in Juniperus thurifera and Acorus calamus with data available.