Dihydrotoxiferin

Base Information

• Chemical Name: Dihydrotoxiferin
• CAS No.: 664-27-7
• Molecular Formula: C40H46N4+2
• Molecular Weight: 582.8189
• Mol file: 664-27-7.mol

Synonyms:Dihydrotoxiferin;Dihydrotoxiferine;C-Alkaloid K;Dihydrotoxiferin I;C-Dihydrotoxiferine;18,18'-Dideoxytoxiferine;Toxiferine I, 18,18'-dideoxy-;664-27-7;C40H46N4;C40-H46-N4;LS-154454

Chemical Property of Dihydrotoxiferin

Chemical Property:

• PSA: 6.48000
• LogP: 6.46600
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 582.37224748
• Heavy Atom Count: 44
• Complexity: 1350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1C[N+]2(CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CC)C)C1=CC=CC=C16)C
• Isomeric SMILES: C/C=C\1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=C\N8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C