201188 -OEChem-05102423392D 50 54 0 1 0 0 0 0 0999 V2000 6.4814 0.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 2.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -0.8699 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4814 -0.3630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 0.6370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7493 -0.3630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6153 1.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 -0.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 1.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 0.6370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7493 1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 -2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 1.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 -2.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6758 -1.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -2.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -1.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 1.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 1.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 1.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4971 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 1.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 2.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 0.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 -0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2213 -1.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -2.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 -2.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 -2.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4563 1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4563 1.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7914 1.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 -0.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -3.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 2.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2956 -1.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 -3.4255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 45 1 0 0 0 0 2 19 1 0 0 0 0 2 48 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 6 0 0 0 6 8 1 0 0 0 0 6 25 1 6 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 M END > 201188 > 1 > 514 > 3 > 2 > 2 > AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WLEAAAAAAFix8AAAHgAACAAADizhngYywPMMEgCgAyRiRACCgCAhAiAImCA4ZJgLcOLAkZGUYAhkgADZyAew0OMPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > (15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > (15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > (15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > (15S,17S,19S)-15-ethyl-17-(hydroxymethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > (15S,17S,19S)-15-ethyl-17-methylol-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol > InChI=1S/C20H26N2O2/c1-2-19-9-5-10-21-11-8-15-14-6-3-4-7-16(14)22(17(15)18(19)21)20(24,12-19)13-23/h3-4,6-7,18,23-24H,2,5,8-13H2,1H3/t18-,19+,20+/m1/s1 > YCXHPBHFOLIYEB-AABGKKOBSA-N > 2.1 > 326.199428076 > C20H26N2O2 > 326.4 > CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(CO)O > CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(CO)O > 48.6 > 326.199428076 > 0 > 24 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 5 14 18 8 17 18 8 17 21 8 18 22 8 21 23 8 22 24 8 23 24 8 4 17 8 4 8 8 5 11 6 6 25 6 8 14 8 $$$$