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Home > Encyclopedia > 4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan

4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan

4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan structure

4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan 

structure
  • CAS No:

    144881-21-0

  • Formula:

    C19H22O6

  • Chemical Name:

    4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan

  • Synonyms:

    4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan;(2S,3S)-2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-propanol

  • Categories:

    Natural Products  >  Lignans

Description

(7S,8S)-methoxy-3',7-epoxy-8,4'-oxyneolignan-4,9,9'-triol is a neolignan that consists of a 2,3-dihydro-1,4-benzodioxine ring substituted by a hydroxymethyl group at position 3, a 3-hydroxypropyl group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a neolignan, a triol, an oxacycle and a member of guaiacols.

4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan Basic Attributes

346.37438

346.14163842

Characteristics

88.38000

2.19910

Computed Properties

Molecular Weight:346.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:346.14163842
Monoisotopic Mass:346.14163842
Topological Polar Surface Area:88.4
Heavy Atom Count:25
Complexity:405
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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