rel-(1R,2S)-1,2-Dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)naphthalene
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rel-(1R,2S)-1,2-Dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)naphthalene
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CAS No:
86702-02-5
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Formula:
C24H30O6
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Chemical Name:
rel-(1R,2S)-1,2-Dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)naphthalene
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Synonyms:
Naphthalene,1,2-dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-,(1R,2S)-rel-;Naphthalene,1,2-dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-,trans-(±)-;rel-(1R,2S)-1,2-Dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)naphthalene;Magnoshinin;Naphthalene,1,2-dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-,trans-;(±)-Magnoshinin;115812-31-2
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CAS No:
Description
Magnoshinin is a neolignan that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 repectively. It has a role as an anti-inflammatory agent and a metabolite. It is a member of methoxybenzenes, a member of naphthalenes and a neolignan.
rel-(1R,2S)-1,2-Dihydro-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)naphthalene Basic Attributes
414.5 g/mol
414.49
Computed Properties
Molecular Weight:414.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:414.20423867
Monoisotopic Mass:414.20423867
Topological Polar Surface Area:55.4
Heavy Atom Count:30
Complexity:580
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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