5a-Hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Base Information

• Chemical Name: 5a-Hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
• CAS No.: 560-30-5
• Molecular Formula: C23H26 N2 O5
• Molecular Weight: 410.46
• NSC Number: 99794
• DSSTox Substance ID: DTXSID80971385
• Metabolomics Workbench ID: 126087
• ChEMBL ID: CHEMBL2004313
• Mol file: 560-30-5.mol

Synonyms:CHEMBL2004313;DTXSID80971385;NSC99794;NSC-99794;NCI60_042243

Chemical Property of 5a-Hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Chemical Property:

• Vapor Pressure: 6.04E-19mmHg at 25°C
• Boiling Point: 671.4°Cat760mmHg
• Flash Point: 359.9°C
• PSA: 71.47000
• Density: 1.49g/cm³
• LogP: 1.43260
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 410.18417193
• Heavy Atom Count: 30
• Complexity: 832

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC