CID 6442706

Base Information

• Chemical Name: CID 6442706
• CAS No.: 20361-77-7
• Deprecated CAS: 30803-36-2
• Molecular Formula: C18H27NO5
• Molecular Weight: 337.41
• DSSTox Substance ID: DTXSID901020151
• Nikkaji Number: J16.067I

Synonyms:Hastacine;20361-77-7;(1R,4E,11S,17S)-4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione;DTXSID901020151;AKOS040735391

Chemical Property of CID 6442706

Chemical Property:

• Vapor Pressure: 6.81E-14mmHg at 25°C
• Boiling Point: 539.6°C at 760 mmHg
• Flash Point: 280.1°C
• PSA: 76.07000
• Density: 1.22g/cm³
• LogP: 1.21060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 337.18892296
• Heavy Atom Count: 24
• Complexity: 560

Purity/Quality:

99% ^*data from raw suppliers

Hastacine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CC(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
• Isomeric SMILES: C/C=C/1\CC(C(C(=O)OC[C@H]2CCN3[C@@H]2[C@@H](CC3)OC1=O)(C)O)C

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