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135928-39-1

135928-39-1 structural image
Product Name: kansuiphorin B
Formula: C54H90O10
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COMPUTED DESCRIPTORS

Molecular Weight 899.3 g/mol
XLogP3 14.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 33
Exact Mass 898.65339906 g/mol
Monoisotopic Mass 898.65339906 g/mol
Topological Polar Surface Area 149 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1620
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 10
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

{5b-[(2,3-Dimethylbutanoyl)oxy]-9a-(dodecanoyloxy)-5,5a-dihydroxy-1,1,6a,8-tetramethyl-10-oxo-1a,2,5,5a,5b,6a,7,8,9,9a-decahydro-1h-2,7a-methanocyclopropa[5',6']cyclodeca[1',2':3,4]cyclopenta[1,2-b]oxiren-4-yl}methyl hexadecanoate is a natural product found in Euphorbia kansui with data available.