Gratisin
[CAS# 37294-30-7]

Identification

• Name: Gratisin
• Molecular Formula: C₇₈H₁₁₀N₁₄O₁₄
• Molecular Weight: 1467.81
• CAS Registry Number: 37294-30-7
• SMILES: [C@@H]17N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]4N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CC2=CC=C(O)C=C2)C(C)C)CCCN)CC(C)C)CC3=CC=CC=C3)CCC4)CC5=CC=C(O)C=C5)C(C)C)CCCN)CC(C)C)CC6=CC=CC=C6)CCC7
• InChI: 1S/C78H110N14O14/c1-45(2)39-57-69(97)87-61(43-49-19-11-9-12-20-49)77(105)91-37-17-25-63(91)73(101)85-60(42-52-29-33-54(94)34-30-52)72(100)90-66(48(7)8)76(104)82-56(24-16-36-80)68(96)84-58(40-46(3)4)70(98)88-62(44-50-21-13-10-14-22-50)78(106)92-38-18-26-64(92)74(102)86-59(41-51-27-31-53(93)32-28-51)71(99)89-65(47(5)6)75(103)81-55(23-15-35-79)67(95)83-57/h9-14,19-22,27-34,45-48,55-66,93-94H,15-18,23-26,35-44,79-80H2,1-8H3,(H,81,103)(H,82,104)(H,83,95)(H,84,96)(H,85,101)(H,86,102)(H,87,97)(H,88,98)(H,89,99)(H,90,100)/t55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-/m0/s1
• InChIKey: KIUGLYLJMHCDMF-AHAYUKIASA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 1647.3°C at 760 mmHg (Cal.)
• Flash point: 950.1°C (Cal.)