(4R,7R,8R,9Z,14E,16E,18S)-18-Hydroxy-7-Isopropyl-4,8,16-Trimethyl-6,23-Dioxa-3,12,25-Triazabicyclo[20.2.1]Pentacosa-1(24),9,14,16,22(25)-Pentaene-2,5,11,20-Tetrone
[CAS# 58678-44-7]

Identification

• Name: (4R,7R,8R,9Z,14E,16E,18S)-18-Hydroxy-7-Isopropyl-4,8,16-Trimethyl-6,23-Dioxa-3,12,25-Triazabicyclo[20.2.1]Pentacosa-1(24),9,14,16,22(25)-Pentaene-2,5,11,20-Tetrone
• Synonyms: Madumycin I; BRN 1097168
• Molecular Formula: C₂₆H₃₅N₃O₇
• Molecular Weight: 501.57
• CAS Registry Number: 58678-44-7
• SMILES: O=C1N[C@@H](C(=O)O[C@@H]([C@@H](/C=C\C(=O)NC/C=C/C(=C/[C@@H](O)CC(=O)Cc2nc1co2)C)C)C(C)C)C
• InChI: 1S/C26H35N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-19,24,30H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8-,16-11+/t17-,18-,19-,24-/m1/s1
• InChIKey: VQNWNKSWWORSDJ-KBBXCMTGSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 820.145°C at 760 mmHg (Cal.)
• Flash point: 449.808°C (Cal.)