56842108 -OEChem-04262412142D 69 71 0 1 0 0 0 0 0999 V2000 7.1706 3.6860 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 1.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5725 4.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 2.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 4.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 3.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6706 2.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 4.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 4.1860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5858 11.7782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 2.6860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8404 3.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5725 3.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8404 4.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7065 4.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 1.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 3.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 4.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 3.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 11.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 10.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 12.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 10.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 9.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 9.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 9.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7198 8.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 8.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 7.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 2.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 2.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 5.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 5.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 5.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8370 4.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 4.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1833 0.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 0.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0701 1.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 3.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 3.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5735 3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 4.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 11.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 10.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7567 12.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 12.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 11.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6828 10.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 9.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 10.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5858 12.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 11.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 9.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 9.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 7.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 7.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 7.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 24 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 1 0 0 0 14 19 1 6 0 0 0 15 16 1 0 0 0 0 15 36 1 1 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 56842108 > 1 > 668 > 10 > 2 > 5 > AAADcfB7PABAAAAAAAAAAAAAAAAAASJAAAA0QAAAAAAAAEgBAAAAHgAQQAAADJyhmAIyCIBABACAAiBCADACAAAgAAAIiAAAAIgZICKAkRGiIAAlkAAOiAfQ4MwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-methyl-1-phenyl-propan-2-amine;[(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate > 2-methyl-1-phenyl-2-propanamine;sulfamic acid [(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl ester > 2-methyl-1-phenylpropan-2-amine;[(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate > 2-methyl-1-phenylpropan-2-amine;[(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate > 2-methyl-1-phenyl-propan-2-amine;[(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate > (1,1-dimethyl-2-phenyl-ethyl)amine;sulfamic acid [(1R,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl ester > InChI=1S/C12H21NO8S.C10H15N/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12;1-10(2,11)8-9-6-4-3-5-7-9/h7-9H,5-6H2,1-4H3,(H2,13,14,15);3-7H,8,11H2,1-2H3/t7-,8-,9?,12+;/m1./s1 > PWDLDBWXTVILPC-QGGVPXFVSA-N > 488.21923728 > C22H36N2O8S > 488.6 > CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C.CC(C)(CC1=CC=CC=C1)N > CC1(O[C@@H]2CO[C@@]3(C([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C.CC(C)(CC1=CC=CC=C1)N > 150 > 488.21923728 > 0 > 33 > 3 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 13 35 5 14 19 6 15 36 5 12 2 3 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 $$$$