Spirostaphylotrichin A

Base Information

• Chemical Name: Spirostaphylotrichin A
• CAS No.: 106155-05-9
• Molecular Formula: C14H17 N O5
• Molecular Weight: 279.2885
• NSC Number: 631126
• DSSTox Substance ID: DTXSID30420050
• Wikidata: Q82231307
• Metabolomics Workbench ID: 143792
• Mol file: 106155-05-9.mol

Synonyms:Spirostaphylotrichin A;NSC631126;106155-05-9;(4R,5S,6E)-4,10-dihydroxy-2-methoxy-3-methylidene-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,9-dione;DTXSID30420050;NSC-631126

Chemical Property of Spirostaphylotrichin A

Chemical Property:

• Vapor Pressure: 4.97E-12mmHg at 25°C
• Boiling Point: 498.6°Cat760mmHg
• Flash Point: 255.3°C
• Density: 1.34g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 279.11067264
• Heavy Atom Count: 20
• Complexity: 536

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=C1C=CC(=O)C(C12C(C(=C)N(C2=O)OC)O)O
• Isomeric SMILES: CC/C=C/1\C=CC(=O)C([C@@]12[C@H](C(=C)N(C2=O)OC)O)O