Etamycin A
[CAS# 299-20-7]

Identification

• Name: Etamycin A
• Synonyms: N-[16-(1,2-Dimethylpropyl)-24-Hydroxy-3-Isobutyl-7,11,13,17,20-Pentamethyl-2,5,9,12,15,18,21-Heptaoxo-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo[20.3.0]Pentacosan-6-Yl]-3-Hydroxy-Pyridine-2-Carboxamide; N-[16-(1,2-Dimethylpropyl)-24-Hydroxy-3-Isobutyl-7,11,13,17,20-Pentamethyl-2,5,9,12,15,18,21-Heptaoxo-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo[20.3.0]Pentacosan-6-Yl]-3-Hydroxy-2-Pyridinecarboxamide; N-[16-(1,2-Dimethylpropyl)-24-Hydroxy-3-Isobutyl-2,5,9,12,15,18,21-Heptaketo-7,11,13,17,20-Pentamethyl-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo[20.3.0]Pentacosan-6-Yl]-3-Hydroxy-Picolinamide
• Molecular Formula: C₄₄H₆₂N₈O₁₁
• Molecular Weight: 879.02
• CAS Registry Number: 299-20-7
• SMILES: C1=NC(=C(O)C=C1)C(NC2C(NC(C(N4C(C(N(CC(N(C(C(NC(C)C(N(C(C(OC2C)=O)C3=CC=CC=C3)C)=O)=O)C(C(C)C)C)C)=O)C)=O)CC(C4)O)=O)CC(C)C)=O)=O
• InChI: 1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)
• InChIKey: SATIISJKSAELDC-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 1213.798°C at 760 mmHg (Cal.)
• Flash point: 687.88°C (Cal.)