Frangulanine
[CAS# 25350-22-5]

Identification

• Name: Frangulanine
• Synonyms: (2S,3S)-2-Dimethylamino-N-[(3S,4S,7S,10Z)-7-Isobutyl-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-Pentanamide; (2S,3S)-2-Dimethylamino-N-[(3S,4S,7S,10Z)-7-Isobutyl-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methylpentanamide; (2S,3S)-2-Dimethylamino-N-[(3S,4S,7S,10Z)-7-Isobutyl-3-Isopropyl-5,8-Diketo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-3-Methyl-Valeramide
• Molecular Formula: C₂₈H₄₄N₄O₄
• Molecular Weight: 500.68
• CAS Registry Number: 25350-22-5
• SMILES: [C@H]2(NC(=O)[C@@H](N(C)C)[C@H](CC)C)[C@@H](OC1=CC=C(C=C1)\C=C/NC(=O)[C@@H](NC2=O)CC(C)C)C(C)C
• InChI: 1S/C28H44N4O4/c1-9-19(6)24(32(7)8)28(35)31-23-25(18(4)5)36-21-12-10-20(11-13-21)14-15-29-26(33)22(16-17(2)3)30-27(23)34/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,33)(H,30,34)(H,31,35)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
• InChIKey: ULQXKOIGVXLOOC-RJJCKBEYSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 729.097°C at 760 mmHg (Cal.)
• Flash point: 394.744°C (Cal.)