Amphibine B
[CAS# 38541-74-1]

Identification

• Name: Amphibine B
• Synonyms: C09998
• Molecular Formula: C₃₉H₄₇N₅O₅
• Molecular Weight: 665.83
• CAS Registry Number: 38541-74-1
• SMILES: [C@H]13N(CC[C@@H]1OC2=CC=C(C=C2)\C=C/NC(=O)[C@@H](NC3=O)CC4=CC=CC=C4)C(=O)[C@@H](NC(=O)[C@@H](N(C)C)CC5=CC=CC=C5)[C@H](CC)C
• InChI: 1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31-,32-,33-,34-,35-/m0/s1
• InChIKey: BZXBQQGSSIQELG-HVQQJYASSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 937.956°C at 760 mmHg (Cal.)
• Flash point: 521.057°C (Cal.)