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148179-94-6

148179-94-6 structural image
Product Name: spongistatin 1
Formula: C63H95ClO21
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COMPUTED DESCRIPTORS

Molecular Weight 1223.9 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 21
Rotatable Bond Count 11
Exact Mass 1222.6054377 g/mol
Monoisotopic Mass 1222.6054377 g/mol
Topological Polar Surface Area 302 Ų
Heavy Atom Count 85
Formal Charge 0
Complexity 2440
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 24
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

8,12,45,46,47,48,50-Heptaoxaheptacyclo(39.3.1.1(1,5).1(9,13).1(15,19).1(25,29).1(29,33))pentacont-23-ene-7,35-dione, 3,37-bis(acetyloxy)-11-(7-chloro-4-hydroxy-2-methylene-5,7-octadienyl)-10,14,15,17,27,43-hexahydroxy-31-methoxy-18,36,38,43,49-pentamethyl-39-methylene- is a natural product found in Hyrtios altus and Hyrtios erectus with data available.