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13539-24-7

13539-24-7 structural image
Product Name: 8-HYDROXYGENISTEIN-7,8,4'-TRIMETHYL ETHER
Formula: C18H16O6
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 171.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 328.3 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 328.09468823 g/mol
Monoisotopic Mass 328.09468823 g/mol
Topological Polar Surface Area 74.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 482
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Isotectorigenin, 7-methyl ether is a natural product found in Peperomia humilis and Peperomia leptostachya with data available.