(4R,7R,8R,9E,14E,16E,20S)-20-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-Trione
[CAS# 71843-98-6]

Identification

• Name: (4R,7R,8R,9E,14E,16E,20S)-20-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-Trione
• Synonyms: (3S,6Z,8Z,13Z,15R,16R,19R)-3-Hydroxy-16-Isopropyl-7,15,19-Trimethyl-17,24-Dioxa-11,20,25-Triazabicyclo[20.2.1]Pentacosa-1(25),6,8,13,22-Pentaene-12,18,21-Trione; A 17002 C; A-17002C
• Molecular Formula: C₂₆H₃₇N₃O₆
• Molecular Weight: 487.59
• CAS Registry Number: 71843-98-6
• SMILES: [C@@H]2(NC(=O)C1=COC(=N1)C[C@@H](O)CC\C=C(/C=C\CNC(=O)\C=C/[C@H]([C@H](OC2=O)C(C)C)C)C)C
• InChI: 1S/C26H37N3O6/c1-16(2)24-18(4)11-12-22(31)27-13-7-9-17(3)8-6-10-20(30)14-23-29-21(15-34-23)25(32)28-19(5)26(33)35-24/h7-9,11-12,15-16,18-20,24,30H,6,10,13-14H2,1-5H3,(H,27,31)(H,28,32)/b9-7-,12-11-,17-8-/t18-,19-,20+,24-/m1/s1
• InChIKey: HYYZDUUXSSRJQZ-YIBNVXJJSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 776.048°C at 760 mmHg (Cal.)
• Flash point: 423.139°C (Cal.)