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  2. 107534-93-0
Introduction
Macelignan ((+) -anwuligan; Anwuligan is a bioactive lignan isolated from nutmeg Macelignan has many pharmacological activities, including anti-inflammatory, anticancer, antidiabetic and neuroprotective activities
Names and Identifiers
  • (+)-Anwulignan
  • Anwuligan
  • ANWULIGNAN
  • 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • Macelignan
  • Phenol,4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-diMethylbutyl]-2-Methoxy-
  • Calophyn
  • austrobailignan 6
  • HMS2219A18
  • UNII-8PP3614Z43
  • 4-[(2S,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-phenol
  • MLS000728494
  • 8PP3614Z43
  • SMR000445701
  • Phenol, 4-((2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl)-2-methoxy-
  • (+)-Anwulignan
  • Anwuligan
  • Macelignan, >=98% (HPLC)
  • BDBM90735
  • cid_10404245
  • (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'
  • (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)-8,8'-dimethylbutane
  • HMS22
  • Anwulignan
  • Anwuligan, 98%, from Schisandra chinensis
  • FT-0696054
  • 4-[4-(2H-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • 4-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
  • FT-0697283
  • Phenol, 4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxy-, [S-(R*,S*)]-
  • 4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-butyl]-2-methoxy-phenol
  • QDDILOVMGWUNGD-UHFFFAOYSA-N
  • AKOS040738922
  • Compound NP-013791
  • NS00097293
  • MDL:MFCD09953803
  • InChIKey:QDDILOVMGWUNGD-UONOGXRCSA-N
  • Inchi:1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
  • SMILES:O1C([H])([H])OC2C([H])=C([H])C(=C([H])C1=2)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1C([H])=C([H])C(=C(C=1[H])OC([H])([H])[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 328.4g/mol
  • Surface Charge: 0
  • XLogP3: 5.2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 328.167459g/mol
  • Monoisotopic Mass: 328.167459g/mol
  • Topological Polar Surface Area: 47.9Ų
  • Heavy Atom Count: 24
  • Complexity: 388
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 4.18690
  • PSA: 47.92000
  • Boiling Point: 467.0±40.0 °C at 760 mmHg
  • Melting Point: 70-71 ºC
  • Flash Point: 236℃
  • Color/Form: Powder
  • Density: 1.159
Security Information
  • Safety Instruction:H303+H313+H333
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Warning Statement:P264+P280+P305+P351+P338+P337+P313
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Signal Word:warning
Customs Data
  • HS CODE:29329990
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