Permetin A
[CAS# 71888-70-5]

Identification

• Name: Permetin A
• Synonyms: 12,21,27-Tris(2-Aminoethyl)-3-(Hydroxymethyl)-6,15-Diisobutyl-9-Isopropyl-18-(Phenylmethyl)-24,31-Disec-Butyl-1-Oxa-4,7,10,13,16,19,22,25,28-Nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-Decone; 12,21,27-Tris(2-Aminoethyl)-18-(Benzyl)-6,15-Diisobutyl-9-Isopropyl-3-Methylol-24,31-Disec-Butyl-1-Oxa-4,7,10,13,16,19,22,25,28-Nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-Pentaquinone; 9-L-Serinepolypeptin A
• Molecular Formula: C₅₄H₉₂N₁₂O₁₂
• Molecular Weight: 1101.39
• CAS Registry Number: 71888-70-5
• SMILES: C1=CC=CC=C1CC2C(NC(C(NC(C(NC(C(NC(C(NC(C(OC(CC(NC(C(NC(C(NC(C(N2)=O)CCN)=O)C(CC)C)=O)CCN)=O)C(CC)C)=O)CO)=O)CC(C)C)=O)C(C)C)=O)CCN)=O)CC(C)C)=O
• InChI: 1S/C54H92N12O12/c1-11-32(9)42-27-43(68)58-35(18-21-55)47(70)66-45(33(10)12-2)53(76)60-36(19-22-56)46(69)62-40(26-34-16-14-13-15-17-34)51(74)61-38(24-29(3)4)49(72)59-37(20-23-57)48(71)65-44(31(7)8)52(75)63-39(25-30(5)6)50(73)64-41(28-67)54(77)78-42/h13-17,29-33,35-42,44-45,67H,11-12,18-28,55-57H2,1-10H3,(H,58,68)(H,59,72)(H,60,76)(H,61,74)(H,62,69)(H,63,75)(H,64,73)(H,65,71)(H,66,70)
• InChIKey: NPQJTPHMCZYCNP-UHFFFAOYSA-N

Properties

• Density: 1.078g/cm³ (Cal.)
• Boiling point: 1407.071°C at 760 mmHg (Cal.)
• Flash point: 804.768°C (Cal.)