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Homecas94596-28-8

94596-28-8

94596-28-8 structural image
Product Name: Senkyunolide I
Formula: C12H16O4
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COMPUTED DESCRIPTORS

Molecular Weight 224.25 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 224.10485899 g/mol
Monoisotopic Mass 224.10485899 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 367
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel- is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.