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10247-54-8

10247-54-8 structural image
Product Name: verticillatine
Formula: C25H27NO5
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COMPUTED DESCRIPTORS

Molecular Weight 421.5 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 421.18892296 g/mol
Monoisotopic Mass 421.18892296 g/mol
Topological Polar Surface Area 79.2 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 683
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

(1S,13Z,17S,19R)-6,9-Dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one is a natural product found in Decodon verticillatus with data available.