Ligularidine
[CAS# 60872-63-1]

Identification

• Name: Ligularidine
• Synonyms: Acetic Acid [(1R,4E,6R,7S,11Z)-4-Ethylidene-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; Acetic Acid [(1R,4E,6R,7S,11Z)-4-Ethylidene-3,8,17-Triketo-6,7,14-Trimethyl-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ester; [(1R,4E,6R,7S,11Z)-4-Ethylidene-6,7,14-Trimethyl-3,8,17-Trioxo-2,9-Dioxa-14-Azabicyclo[9.5.1]Heptadec-11-En-7-Yl] Ethanoate
• Molecular Formula: C₂₁H₂₉NO₇
• Molecular Weight: 407.46
• CAS Registry Number: 60872-63-1
• SMILES: [C@@]2(C(OC/C1=C/CN(CC[C@H](C1=O)OC(C(/C[C@H]2C)=C/C)=O)C)=O)(OC(=O)C)C
• InChI: 1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6+,16-7-/t13-,17-,21+/m1/s1
• InChIKey: ZOIAVVNLMDKOIV-BPYQQJMWSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 617.408°C at 760 mmHg (Cal.)
• Flash point: 327.197°C (Cal.)