(12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol

• ChemBase ID: 305439
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: c1(c(cc2c(c1)CCN1[C@H]2Cc2c(C1)c(c(cc2)OC)OC)OC)O
• Canonical SMILES: COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc(c(c3)O)OC
• InChI: InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
• InChIKey: BMCZTYDZHNTKPR-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol
• IUPAC Traditional name: (12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol
• Synonyms: Corypalmine

Database IDs

• CAS Number: 6018-40-2

CALCULATED PROPERTIES

• Acid pKa: 9.976025
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.688598
• LogD (pH = 7.4): 2.9951837
• Log P: 3.0020807
• Molar Refractivity: 96.8732 cm^3
• Polarizability: 37.19282 Å^3
• Polar Surface Area: 51.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder

Product Information

• Purity: 98.5