海博麦布结构确证

徐肖杰,陈延安,李旭飞,张云才,张勇,詹冬凯,潘婷

Structural Elucidation of Hybutimibe

XU Xiaojie,CHEN Yan’an,LI Xufei,ZHANG Yuncai,ZHANG Yong,ZHAN Dongkai,PAN Ting

表1 海博麦布样品的NMR信号归属*

Table 1 Assignment of NMR data of hybutimibe*

Assignment δC DEPT HMBC δH δH(DMSO-d6) COSY NOESY(DMSO-d6) 4 26.9 CH2 3.25(H2),4.73(H3), 5.84(H5) 2.85(m,2H) 2.75(m,2H) 3.25(H2), 5.84(H5) 3.20(H2), 4.36(H7), 4.90(H3), 5.77(H5) 7 59.6 CH2 5.84(H5) 4.50,4.58 (d,J=12.4 Hz,2H) 4.36 (d,J=5.3 Hz,2H) 4.84 (OH,t,J=5.3 Hz,1H) / 2.75(H4), 7.38(H9,H13) 2 59.9 CH 4.73(H3),5.84(H5) 3.25(m,1H) 3.20(m,1H) 2.85(H4), 4.73(H3) 2.75(H4) 3 60.3 CH 2.85(H4),3.25(H2), 7.18(H15,H19) 4.73(d,J=2.0 Hz,1H) 4.90 (d,J=2.4 Hz,1H) 3.25(H2) 2.75(H4), 7.19(H15,H19) 10,12 115.3(d,J=22 Hz) CH 6.98(H10,H12), 7.38(H9,H13) 6.98(t,J=8.7 Hz,2H) 7.12 (m,2H) 7.38(H9,H13) / 22,24 115.9(d,J=23 Hz) CH 6.92(H22,H24) 6.92(t,J=8.6 Hz,2H) 7.12(m,2H) 7.26(H21,H25) / 16,18 116.2 CH 6.84(H16,H18) 6.84(d,J=8.4 Hz,2H) 6.70 (d,J=8.6 Hz,1H) 7.18(H15,H19) / 21,25 118.7(d,J=8Hz) CH 7.26(H21,H25) 7.26(dd,J=4.6/8.9 Hz,2H) 7.19(m,2H) 6.92(H22,H24) / 5 126.1 CH 2.85(H4),3.25(H2), 4.50(H7),4.58(H7) 5.84(t,J=8.1 Hz,1H) 5.77 (t,J=7.7 Hz,1H) 2.85(H4) 7.38(H9,H13) 15,19 127.4 CH 4.73(H3), 7.18(H15,H19) 7.18(d,J=8.4 Hz,2H) 7.19(m,2H) 6.84(H16,H18) 4.90(H3) 9,13 128.1(d,J=8Hz) CH 7.38(H9,H13) 7.38(dd,J=5.5, 8.5 Hz,2H) 7.38(m,2H) 6.98(H10,H12) 4.36(H7), 5.77(H5) 14 128.8 C 3.25(H2), 6.84(H16,H18) / / / / 20 133.6(d,J=2Hz) C 6.92(H22,H24), 7.26(H21,H25) / / / / 8 137.0 ( d,J=4Hz) C 4.50(H7),4.58(H7), 5.84(H5), 6.98(H10,H12) / / / / 6 141.2 C 2.85(H4),4.50(H7), 4.58(H7),5.84(H5), 7.38(H10,H12) / / / / 17 156.3 C 6.84(H16,H18), 7.18(H15,H19) / 9.48(OH,s,1H) / 6.70(H16,H18) 23 159.2 (d,J=243Hz) C 6.92(H22,H24), 7.26(H21,H25) / / / / 11 162.3(d,J=245Hz) C 6.98(H10,H12), 7.38(H9,H13) / / / / 1 167.8 C 2.85(H4),3.25(H2), 4.73(H3) / / / /