(8R)-8aalpha,9,12aalpha,13-Tetrahydro-5,9beta-Dihydroxy-8alpha-Methyl-8H-10-Oxa-1,7b-Diazabenzo[5,6]Cyclohepta[1,2,3-jk]Fluorene-2,12-Dicarboxylic Acid 12-Methyl Ester
[CAS# 20072-28-0]

Identification

• Name: (8R)-8aalpha,9,12aalpha,13-Tetrahydro-5,9beta-Dihydroxy-8alpha-Methyl-8H-10-Oxa-1,7b-Diazabenzo[5,6]Cyclohepta[1,2,3-jk]Fluorene-2,12-Dicarboxylic Acid 12-Methyl Ester
• Synonyms: Adifoline
• Molecular Formula: C₂₂H₂₀N₂O₇
• Molecular Weight: 424.41
• CAS Registry Number: 20072-28-0
• SMILES: [C@@H]13C(=CO[C@@H]([C@@H]1[C@H]([N]4C2=C(C=C(N=C2C3)C(=O)O)C5=CC(=CC=C45)O)C)O)C(=O)OC
• InChI: 1S/C22H20N2O7/c1-9-18-12(14(21(28)30-2)8-31-22(18)29)6-15-19-13(7-16(23-15)20(26)27)11-5-10(25)3-4-17(11)24(9)19/h3-5,7-9,12,18,22,25,29H,6H2,1-2H3,(H,26,27)/t9-,12-,18-,22+/m1/s1
• InChIKey: DJWXVEDJWPDUBQ-DEALGVFLSA-N

Properties

• Density: 1.651g/cm³ (Cal.)
• Boiling point: 666.687°C at 760 mmHg (Cal.)
• Flash point: 357°C (Cal.)