Nigakihemiacetal B

Base Information

• Chemical Name: Nigakihemiacetal B
• CAS No.: 76-77-7
• Molecular Formula: C₂₂H₃₀O₆
• Molecular Weight: 390.477
• NSC Number: 139168
• DSSTox Substance ID: DTXSID00871550
• Nikkaji Number: J4.184J
• Wikidata: Q104924612
• ChEMBL ID: CHEMBL4296861
• Mol file: 76-77-7.mol

Synonyms:Nigakihemiacetal B;Neoquassine;76-77-7;MLS002920476;11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione;NSC-139168;Picrasa-2,12-diene-1,11-dione,16-hydroxy-2,12-dimethoxy-;16-hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione;C22H30O6;NSC139168;CHEMBL4296861;DTXSID00871550;CHEBI:175122;AKOS040760592;SMR001798066;FT-0775833;Picrasa-2,11-dione, 16-hydroxy-2,12-dimethoxy-;16-Hydroxy-2,12-dimethoxy-Picrasa-2,12-diene-1,11-dione

Chemical Property of Nigakihemiacetal B

Chemical Property:

• Vapor Pressure: 3.04E-15mmHg at 25°C
• Melting Point: 228oC
• Refractive Index: 1.626
• Boiling Point: 567.5oC at 760 mmHg
• Flash Point: 195.5oC
• PSA: 82.06000
• Density: 1.24g/cm3
• LogP: 2.61080
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 390.20423867
• Heavy Atom Count: 28
• Complexity: 797

Purity/Quality:

98%min ^*data from raw suppliers

Neoquassin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC