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39763-33-2

39763-33-2 structural image
Product Name: Dehydrovomifoliol
Formula: C13H18O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1799.8

COMPUTED DESCRIPTORS

Molecular Weight 222.28 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 222.125594432 g/mol
Monoisotopic Mass 222.125594432 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 388
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.