Aureobasidin E
[CAS# 127785-66-4]

Identification

• Name: Aureobasidin E
• Synonyms: (6S,9S,12R,15S,18S,21S,24S,27S)-15-(1-Hydroxy-1-Methyl-Ethyl)-3-[(S)-Hydroxy-Phenyl-Methyl]-18-Isobutyl-9,21-Diisopropyl-4,10,16,22-Tetramethyl-6-(Phenylmethyl)-12,24-Disec-Butyl-13-Oxa-1,4,7,10,16,19,22,25-Octazabicyclo[25.3.0]Triacontane-2,5,8,11,14,17,20,23,26-Nonone; (6S,9S,12R,15S,18S,21S,24S,27S)-15-(1-Hydroxy-1-Methylethyl)-3-[(S)-Hydroxy-Phenylmethyl]-18-Isobutyl-9,21-Diisopropyl-4,10,16,22-Tetramethyl-6-(Phenylmethyl)-12,24-Disec-Butyl-13-Oxa-1,4,7,10,16,19,22,25-Octazabicyclo[25.3.0]Triacontane-2,5,8,11,14,17,20,23,26-Nonone; (6S,9S,12R,15S,18S,21S,24S,27S)-6-(Benzyl)-15-(1-Hydroxy-1-Methyl-Ethyl)-3-[(S)-Hydroxy-Phenyl-Methyl]-18-Isobutyl-9,21-Diisopropyl-4,10,16,22-Tetramethyl-12,24-Disec-Butyl-13-Oxa-1,4,7,10,16,19,22,25-Octazabicyclo[25.3.0]Triacontane-2,5,8,11,14,17,20,23,26-Nonone
• Molecular Formula: C₆₀H₉₂N₈O₁₂
• Molecular Weight: 1117.43
• CAS Registry Number: 127785-66-4
• SMILES: [C@@H]14N(C(=O)C(N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC1=O)[C@@H](CC)C)C)C(C)C)CC(C)C)C)C(O)(C)C)[C@@H](CC)C)C)C(C)C)CC2=CC=CC=C2)C)[C@@H](O)C3=CC=CC=C3)CCC4
• InChI: 1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38-,41+,42+,43+,44+,45+,46+,47?,48+,49-,50-/m1/s1
• InChIKey: CCOLHNQBJDUNIC-IJYBSRRDSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 1252.639°C at 760 mmHg (Cal.)
• Flash point: 711.37°C (Cal.)