4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan
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4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan
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CAS No:
144881-21-0
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Formula:
C19H22O6
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Chemical Name:
4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan
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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
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CAS No:
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.
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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4',9,9'-Trihydroxy-3'-methoxy-3,7'-epoxy-4,8'-oxyneolignan
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