bridgeside E2结构式,bridgeside E2化学式 – 960化工网

来自 : m.chem960.com/structure/sc1266 发布时间：2021-03-25

8.5102 12.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 15.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 16.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 15.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4736 16.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6362 16.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3551 18.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 17.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9173 15.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6433 20.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0392 19.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2474 21.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1713 22.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3214 23.9682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6031 22.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4926 23.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6430 24.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5704 25.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7208 26.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1526 26.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0769 28.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5844 26.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2283 25.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4393 28.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8897 22.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2420 22.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3174 21.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8102 22.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1666 24.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9679 24.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3637 24.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5721 25.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6867 26.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 26.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1043 25.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7839 24.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9537 23.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4247 25.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 27.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9651 21.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8143 19.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5333 21.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6854 21.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 22.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 19.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 20.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0776 21.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3589 20.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0027 18.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 19.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 36 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 42 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 46 50 1 0 0 0 0 50 33 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58 61 1 0 0 0 0 61 62 1 0 0 0 0 56 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 63 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 67 71 1 0 0 0 0 71 53 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 0 0 0 0 77 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 83 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 87 91 1 0 0 0 0 91 74 1 0 0 0 0 91 92 1 0 0 0 0 91 93 1 0 0 0 0 93 94 1 0 0 0 0 30 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 1 0 0 0 0 95 98 1 0 0 0 0 98 14 1 0 0 0 0 98 99 1 0 0 0 0 98100 1 0 0 0 0 19101 1 0 0 0 0101102 1 0 0 0 0101103 1 0 0 0 0101104 1 0 0 0 0104105 1 0 0 0 0104106 1 0 0 0 0 12107 1 0 0 0 0107 1 1 0 0 0 0107104 1 0 0 0 0107108 1 0 0 0 0108109 1 0 0 0 0108110 1 0 0 0 0108111 1 0 0 0 0 6112 1 0 0 0 0112113 1 0 0 0 0112114 1 0 0 0 0114115 1 0 0 0 0115116 1 0 0 0 0115117 1 0 0 0 0115118 1 0 0 0 0118119 1 0 0 0 0118120 1 0 0 0 0120121 1 0 0 0 0121122 1 0 0 0 0122123 1 0 0 0 0122124 1 0 0 0 0122125 1 0 0 0 0121126 2 0 0 0 0118127 1 0 0 0 0127128 1 0 0 0 0128129 1 0 0 0 0128130 1 0 0 0 0128131 1 0 0 0 0127132 1 0 0 0 0132133 1 0 0 0 0132134 1 0 0 0 0132135 1 0 0 0 0135136 1 0 0 0 0136137 1 0 0 0 0137138 1 0 0 0 0137139 1 0 0 0 0137140 1 0 0 0 0136141 2 0 0 0 0127142 1 0 0 0 0142112 1 0 0 0 0142143 1 0 0 0 0142144 1 0 0 0 0114145 1 0 0 0 0145146 2 0 0 0 0145147 1 0 0 0 0114148 1 0 0 0 0148149 1 0 0 0 0148150 1 0 0 0 0148151 1 0 0 0 0151 1 1 0 0 0 0151147 1 0 0 0 0151152 1 0 0 0 0M END

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bridgeside E2 Smile 编码: CC(=O)OCC1(C)C(OC(C)=O)CC23C(C1)C4C(C(OC3=O)C2)(C)C5(C)C(CC=4)C6(C)C(CC5)C(C)(C)C(CC6)OC7C(OC8C(OC9C(O)C(O)C(O)C(C)O9)C(O)C(O)C(CO)O8)C(O)C(O)C(C(O)=O)O7

bridgeside E2 InChi 编码: InChI=1/C52H78O22/c1-21-32(56)34(58)38(62)43(67-21)73-40-35(59)33(57)26(19-53)69-44(40)74-41-37(61)36(60)39(42(63)64)72-45(41)70-29-13-14-49(7)27(47(29,4)5)12-15-50(8)28(49)11-10-24-25-16-48(6,20-66-22(2)54)30(68-23(3)55)17-52(25)18-31(51(24,50)9)71-46(52)65/h10,21,25-41,43-45,53,56-62H,11-20H2,1-9H3,(H,63,64)/t21-,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37-,38+,39-,40+,41+,43-,44-,45+,48-,49-,50+,51-,52-/m0/s1

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