11319502 -OEChem-05132414582D 100100 0 1 0 0 0 0 0999 V2000 13.8524 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.7605 12.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.1776 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.5643 4.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5643 3.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 2.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 4.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 3.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 4.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5643 4.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0643 5.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 5.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1624 4.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 6.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2964 7.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4303 7.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1624 7.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1624 8.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0284 9.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0284 10.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 8.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 10.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3991 9.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1624 10.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3991 10.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8944 10.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 2.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 4.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8944 11.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9537 3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3523 2.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0318 2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8289 2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5084 2.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9069 3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5643 5.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9443 4.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5643 3.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 5.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7543 5.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5274 5.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8934 6.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 4.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6993 5.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8524 5.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8333 6.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7403 8.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8934 8.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 7.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6993 7.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 9.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5654 9.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 7.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 5.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 6.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 8.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 8.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 7.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 11.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 8.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 10.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4724 11.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 11.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8524 10.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4314 10.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 1.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 2.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 4.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 4.5805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 3.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6824 12.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2839 11.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7605 13.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8524 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1100 1 0 0 0 0 2 43 1 0 0 0 0 2 99 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 8 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 13 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 14 2 0 0 0 0 12 57 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 15 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 18 1 0 0 0 0 17 65 1 0 0 0 0 18 19 2 0 0 0 0 18 66 1 0 0 0 0 19 23 1 0 0 0 0 19 67 1 0 0 0 0 20 21 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 34 1 0 0 0 0 23 37 2 0 0 0 0 24 28 1 0 0 0 0 24 31 2 0 0 0 0 25 36 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 30 1 0 0 0 0 26 72 1 0 0 0 0 27 33 1 0 0 0 0 27 73 1 0 0 0 0 28 30 2 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 31 35 1 0 0 0 0 31 79 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 32 40 1 0 0 0 0 32 42 1 0 0 0 0 33 35 2 0 0 0 0 33 80 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 81 1 0 0 0 0 36 41 2 0 0 0 0 36 82 1 0 0 0 0 37 43 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 44 1 0 0 0 0 41 96 1 0 0 0 0 42 44 3 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 M END > 11319502 > 1 > 924 > 2 > 2 > 10 > AAADcfB+IAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAADBUAAAHgAACAAADgDhmAYyAMMAAgDAEiBCAAiCAAAgAAAIiAAIBIgINCKAkRGEMAhggACImAcQgMAPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine;hydrochloride > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol;(E)-N,6,6-trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine;hydrochloride > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride > (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine;hydrochloride > [(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)amine;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol;hydrochloride > InChI=1S/C21H25N.C20H30O.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5;/h5-7,9-14H,16-17H2,1-4H3;6,8-9,11-13,21H,7,10,14-15H2,1-5H3;1H/b9-5+;9-6+,12-11+,16-8+,17-13+; > YDRROSAIPDWUMK-XNUBUGKISA-N > 613.4050431 > C41H56ClNO > 614.3 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C.CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21.Cl > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21.Cl > 23.5 > 613.4050431 > 0 > 44 > 0 > 0 > 5 > 0 > 0 > 3 > -1 > 1 5 255 > 21 22 8 21 26 8 22 24 8 22 27 8 24 28 8 24 31 8 26 30 8 27 33 8 28 30 8 31 35 8 33 35 8 $$$$