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41743-44-6

41743-44-6 structural image
Product Name: FERUTININ
Formula: C22H30O4
Synonyms: 4-Hydroxy-benzoic acid (3R,3aS,4S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester;4-Oxy-6-(4-oxybenzoyloxy)dauc-8,9-en;Ferutinine;Tefestrol
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COMPUTED DESCRIPTORS

Molecular Weight 358.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 358.21440943 g/mol
Monoisotopic Mass 358.21440943 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 561
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

Ferutinine is a natural product found in Ferula jaeschkeana, Ferula sinaica, and other organisms with data available.