Acetic acid 1beta-hydroxy-3,3,14-trimethyl-6-methoxy-7-oxo-1,2,3,14-tetrahydro-7H-4-oxa-14-azabenzo[a]naphthacene-2beta-yl ester

Base Information

• Chemical Name: Acetic acid 1beta-hydroxy-3,3,14-trimethyl-6-methoxy-7-oxo-1,2,3,14-tetrahydro-7H-4-oxa-14-azabenzo[a]naphthacene-2beta-yl ester
• CAS No.: 457657-49-7
• Molecular Formula: C26H25NO6
• DSSTox Substance ID: DTXSID601105178
• Nikkaji Number: J2.201.374B
• ChEMBL ID: CHEMBL105904
• Mol file: 457657-49-7.mol

Synonyms:CHEMBL105904;DTXSID601105178;457657-49-7;Acetic acid 1beta-hydroxy-3,3,14-trimethyl-6-methoxy-7-oxo-1,2,3,14-tetrahydro-7H-4-oxa-14-azabenzo[a]naphthacene-2beta-yl ester;rel-(1R,2R)-2-(Acetyloxy)-1,2,3,14-tetrahydro-1-hydroxy-6-methoxy-3,3,14-trimethyl-7H-benzo[b]pyrano[3,2-h]acridin-7-one

Chemical Property of Acetic acid 1beta-hydroxy-3,3,14-trimethyl-6-methoxy-7-oxo-1,2,3,14-tetrahydro-7H-4-oxa-14-azabenzo[a]naphthacene-2beta-yl ester

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 447.16818752
• Heavy Atom Count: 33
• Complexity: 785

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1C(C2=C3C(=C(C=C2OC1(C)C)OC)C(=O)C4=CC5=CC=CC=C5C=C4N3C)O
• Isomeric SMILES: CC(=O)O[C@@H]1[C@@H](C2=C3C(=C(C=C2OC1(C)C)OC)C(=O)C4=CC5=CC=CC=C5C=C4N3C)O