42601330 -OEChem-05042404212D 67 71 0 1 0 0 0 0 0999 V2000 11.9031 2.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9998 -2.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -1.9200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6960 0.5710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8275 1.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9200 0.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9172 -0.4863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6715 1.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3476 2.7214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7172 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6735 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 -1.0407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3500 2.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9150 1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9227 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 0.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4921 -1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 -1.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9999 -2.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -2.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -1.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -3.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 -1.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 1.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -1.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2972 2.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9381 -1.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3258 -0.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3217 2.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0975 1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 0.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2435 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4269 -1.4806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2251 -1.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 3.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8115 3.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 1.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 1.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5427 1.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 2.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3027 1.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4316 -0.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8315 -1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8376 1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 0.4777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2309 3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8173 4.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0442 3.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -2.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -2.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 -1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8976 -3.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5843 -2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 -1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -4.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1776 -1.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 -4.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 23 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 60 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 1 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 6 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 1 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 1 0 0 0 14 23 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 24 25 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 27 29 2 0 0 0 0 27 64 1 0 0 0 0 28 30 2 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 M END > 42601330 > 1 > 726 > 2 > 1 > 3 > AAADcfB6MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGABgAAAADBAAAAHgAQAAAADwTBmAQyAILAAACIAqFSEACCAAAgAAAIiIEIBIgIIDKAkRGEIAhghgCIiAcYiMCPgAAAAAAAAACAAAQAACAAAQAAAAAAAA== > (1R,5R,9S,13S)-N-benzyl-5,9,13-trimethyl-14-oxo-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide > (1R,5R,9S,13S)-5,9,13-trimethyl-14-oxo-N-(phenylmethyl)-5-tetracyclo[11.2.1.01,10.04,9]hexadecanecarboxamide > (1R,5R,9S,13S)-N-benzyl-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide > (1R,5R,9S,13S)-N-benzyl-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide > (1R,5R,9S,13S)-5,9,13-trimethyl-14-oxidanylidene-N-(phenylmethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide > (1R,5R,9S,13S)-N-benzyl-14-keto-5,9,13-trimethyl-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxamide > InChI=1S/C27H37NO2/c1-24-14-10-21-25(2)12-7-13-26(3,23(30)28-17-19-8-5-4-6-9-19)20(25)11-15-27(21,18-24)16-22(24)29/h4-6,8-9,20-21H,7,10-18H2,1-3H3,(H,28,30)/t20?,21?,24-,25+,26+,27-/m0/s1 > XXTWNNJUTAYEDM-HLJXVDICSA-N > 5.6 > 407.282429423 > C27H37NO2 > 407.6 > CC12CCC3C4(CCCC(C4CCC3(C1)CC2=O)(C)C(=O)NCC5=CC=CC=C5)C > C[C@]12CCC3[C@@]4(CCC[C@@](C4CC[C@@]3(C1)CC2=O)(C)C(=O)NCC5=CC=CC=C5)C > 46.2 > 407.282429423 > 0 > 30 > 4 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 22 5 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 4 10 5 5 11 3 6 18 6 7 13 3 9 21 5 $$$$