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2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione

Base Information
  • Chemical Name:2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione
  • CAS No.:18761-04-1
  • Deprecated CAS:21768-76-3
  • Molecular Formula:C30H40O8
  • Molecular Weight:528.643
  • Hs Code.:
  • Mol file:18761-04-1.mol
2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione

Synonyms:Ardisiachinon B;Ardisiachinone B;18761-04-1;2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione;2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-(16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadiene-1-yl)-8-hexadecenyl)-6-methyl-, (Z)-;p-Benzoquinone, 3,3',6-trihydroxy-6'-methoxy-5-methyl-2,2'-(8-hexadecenylene)bis-, (Z)-;2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-8-hexadecenyl]-6-methyl-, (Z)-

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Chemical Property of 2,5-dihydroxy-3-[(E)-16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadec-8-enyl]-6-methylcyclohexa-2,5-diene-1,4-dione
Chemical Property:
  • Vapor Pressure:5.83E-23mmHg at 25°C 
  • Boiling Point:704.8°C at 760 mmHg 
  • Flash Point:224.2°C 
  • PSA:138.20000 
  • Density:1.22g/cm3 
  • LogP:6.29410 
  • XLogP3:7.1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:17
  • Exact Mass:528.27231823
  • Heavy Atom Count:38
  • Complexity:1070
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=C(C(=O)C(=C(C1=O)O)CCCCCCCC=CCCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)O
  • Isomeric SMILES:CC1=C(C(=O)C(=C(C1=O)O)CCCCCCC/C=C/CCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)O
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