[(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate

Base Information

• Chemical Name: [(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate
• CAS No.: 119308-98-4
• Molecular Formula: C23H27 N O8
• Molecular Weight: 445.4624
• NSC Number: 631346
• DSSTox Substance ID: DTXSID90420051
• Wikidata: Q82231308
• Mol file: 119308-98-4.mol

Synonyms:Dubiusine;119308-98-4;NSC631346;[(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate;2.alpha.-acetoxy-9-(3-hydroxybutyryl)homolycorine;DTXSID90420051;NSC-631346;NCI60_010225

Chemical Property of [(11cS)-5-acetyloxy-9-methoxy-1-methyl-7-oxo-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-10-yl] 3-hydroxybutanoate

Chemical Property:

• Vapor Pressure: 6.31E-16mmHg at 25°C
• Boiling Point: 613.9°Cat760mmHg
• Flash Point: 325.1°C
• PSA: 111.60000
• Density: 1.37g/cm³
• LogP: 1.50780
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 445.17366682
• Heavy Atom Count: 32
• Complexity: 797

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)OC1=C(C=C2C(=C1)C3C(C(C=C4C3N(CC4)C)OC(=O)C)OC2=O)OC)O
• Isomeric SMILES: CC(CC(=O)OC1=C(C=C2C(=C1)C3[C@H]4C(=CC(C3OC2=O)OC(=O)C)CCN4C)OC)O