(4Z)-4-ethylidene-5,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

Base Information

• Chemical Name: (4Z)-4-ethylidene-5,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
• CAS No.: 3573-82-8
• Molecular Formula: C18H27NO6
• Molecular Weight: 353.42
• NSC Number: 129152
• ChEMBL ID: CHEMBL2003603
• Mol file: 3573-82-8.mol

Synonyms:Hygrophylline;3573-82-8;(4Z)-4-ethylidene-5,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione;(1S,14R)-1,2-Dihydro-12,14alpha-dihydroxysenecionan-11,16-dione;NSC-129152;(1-alpha,14-alpha)-1,2-Dihydro-12,14-dihydroxysenecionan-11,16-dione;CHEMBL2003603;Senecionan-11,16-dione, 1,2-dihydro-12,14-dihydroxy-, (1.alpha.,14.alpha.)-;NSC129152;AKOS040735012;Platynecine,4-dihydroxy-2,3-dimethylhexanedioate (ester);Senecionan-11, 1,2-dihydro-12,14-dihydroxy-, (1.alpha.,14.alpha.)-

Chemical Property of (4Z)-4-ethylidene-5,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

Chemical Property:

• Vapor Pressure: 2.69E-16mmHg at 25°C
• Melting Point: 173-174°
• Boiling Point: 588.4°C at 760 mmHg
• Flash Point: 309.7°C
• PSA: 96.30000
• Density: 1.29g/cm³
• LogP: 0.18140
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 353.18383758
• Heavy Atom Count: 25
• Complexity: 590

Purity/Quality:

99%min ^*data from raw suppliers

HYGROPHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O
• Isomeric SMILES: C/C=C\1/C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O