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546-28-1

546-28-1 structural image
Product Name: (+)-BETA-CEDRENE
Formula: C15H24
Synonyms: (1S,2R,5S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01.5]undecane
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1423 1424 1421 1414 1424 1422 1422 1449 1410 1421 1400 1424 1409 1424 1408 1419 1418 1407 1423 1421 1405 1427 1427 1425 1425 1401 1425 1409 1446

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

beta-Cedrene is a natural product found in Widdringtonia whytei, Helichrysum odoratissimum, and other organisms with data available.