Compound 9 P2
(8R,14R,16R,17R,E)-14-hydroxy-8-(hydroxymethyl)-4,14,16-trimethyl-17-(11-methyldodecyl)-1-oxa-4,9,12-triazacycloheptadec-6-ene-2,5,10,13,15-pentaone
View in PubChem | 1H NMR | 13C NMR | 1H NMR (DMSO-d6) | NOESY | HSQC | HMBC | MDL Molfile | ChemDraw
Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.
9 P2 was obtained using the same procedure as described above for 9 P1. NOESY, HSQC and HMBC is also available for this molecule. Rf 0.14 (EtOAc/MeOH 95:5, UV and CAM). 1H NMR (400 MHz, CDCl3) δ 7.98 (brs 1H), 7.49 (d, J = 8.9 Hz, 1H), 6.77 (dd, J = 15.0, 3.1 Hz, 1H), 6.15 (d, J = 15.4 Hz, 1H), 5.27 – 5.11 (m, 1H), 4.79 (brs, 1H), 4.66 (d, J = 19.3 Hz, 1H), 4.10 (dd, J = 17.7, 6.3 Hz, 1H), 3.83 – 3.69 (m, 2H), 3.64 (d, J = 19.0 Hz, 2H), 3.47 (td, J = 9.6, 8.3, 4.8 Hz, 1H), 2.97 (s, 3H), 1.76 (s, 3H), 1.52 (dh, J = 13.2, 7.3, 6.6 Hz, 1H), 1.25 (s, 18H), 1.20 – 1.07 (m, 5H), 0.86 (d, J = 6.6 Hz, 6H). (950 MHz, DMSO-d6) δ 8.72 (t, J = 6.3, 2.0 Hz, 1H), 7.42 (d, J = 9.2 Hz, 1H), 6.90 (s, 1H), 6.73 (dd, J = 15.1, 3.5 Hz, 1H), 6.16 (dd, J = 15.1, 2.0 Hz, 1H), 5.05 (t, J = 5.9 Hz, 1H), 4.93 (td, J = 9.4, 2.7 Hz, 1H), 4.61 – 4.56 (m, 1H), 4.57 (d, J = 19.1 Hz, 1H), 4.02 (d, J = 19.2 Hz, 1H), 3.75 (dd, J = 16.7, 5.7 Hz, 1H), 3.62 (dd, J = 16.7, 6.3 Hz, 1H), 3.48 – 3.45 (m, 1H), 3.44 (dt, J = 9.7, 6.8 Hz, 1H), 3.38 – 3.34 (m, 1H), 2.82 (s, 3H), 1.68 (tdd, J = 14.8, 5.6, 2.8 Hz, 1H), 1.63 – 1.60 (m, 3H), 1.49 (dh, J = 13.3, 6.6 Hz, 1H), 1.32 – 1.19 (m, 16H), 1.13 (dt, J = 8.6, 6.6 Hz, 2H), 1.10 (d, J = 6.8 Hz, 3H), 0.84 (d, J = 6.6 Hz, 6H). 13C NMR (239 MHz, DMSO-d6) δ 212.4, 173.6, 168.8, 167.8, 166.8, 142.9, 119.3, 80.0, 76.8, 63.0, 51.8, 50.1, 43.2, 43.1, 38.5, 34.9, 31.3, 29.3, 29.1, 29.0, 29.0, 28.9, 28.8, 27.4, 26.8, 24.4, 22.5, 21.1, 15.8. HRMS Calc.: C30H51N3O8Na+ 604.3568; found 604.3569.
