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4545-68-0

4545-68-0 structural image
Product Name: (-)-ALPHA-NEOCLOVENE
Formula: C15H24
Synonyms: (1S,7aS)-1,2,3,6,7,7a-Hexahydro-2,2,4,7a-tetramethyl-1,3a-ethano-3aH-indene
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1468

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 336
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

(1S,6S,7R)-2,6,8,8-Tetramethyltricyclo[5.2.2.01,6]undec-2-ene is a natural product found in Panax ginseng and Dendropanax trifidus with data available.