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Home > Encyclopedia > 1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone structure

1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone 

structure
  • CAS No:

    80358-06-1

  • Formula:

    C20H24O9

  • Chemical Name:

    1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

  • Synonyms:

    Tinnevellin glucoside;80358-06-1;1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone;Ethanone, 1-(6-(beta-D-glucopyranosyloxy)-1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)-;DTXSID30230272;HY-N4091;ZINC6070477;CS-0032094;1-(1-Hydroxy-8-methoxy-3-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)naphthalen-2-yl)ethanone

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone Basic Attributes

408.4 g/mol

408.14203234 g/mol

DTXSID30230272

Characteristics

146 Ų

Computed Properties

Molecular Weight:408.4
XLogP3:1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:408.14203234
Monoisotopic Mass:408.14203234
Topological Polar Surface Area:146
Heavy Atom Count:29
Complexity:572
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[1-hydroxy-8-methoxy-3-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

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