salsolin B结构式,salsolin B化学式 – 960化工网

来自 : mip.chem960.com/structure/sc10 发布时间：2021-03-24

4.2611 9.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 10.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 8.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 7.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 5.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7967 6.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 4.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 3.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 3.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 2.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4376 2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 1.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2225 1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 3.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 0.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7613 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3358 2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1535 3.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1536 1.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 3.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1534 4.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7982 4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3682 4.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5829 6.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 4.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 5.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 2.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 2.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 5.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 5.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9327 4.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 7.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 6.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 8.1106 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 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 22 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 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 39 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 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 50 54 1 0 0 0 0 54 36 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 33 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 15 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 20 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 64 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 13 71 1 0 0 0 0 71 1 1 0 0 0 0 71 68 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 6 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 78 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 82 83 1 0 0 0 0 82 84 1 0 0 0 0 82 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 86 89 1 0 0 0 0 85 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 90 93 1 0 0 0 0 85 94 1 0 0 0 0 94 76 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 78 97 1 0 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 1 0 0 0 0 78101 1 0 0 0 0101102 1 0 0 0 0101103 1 0 0 0 0101104 1 0 0 0 0104 1 1 0 0 0 0104105 1 0 0 0 0104106 1 0 0 0 0M END

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salsolin B Smile 编码: OCC1OC(C(O)C(O)C1O)OC2C(CO)(CO)C3C(CC2)(C)C4C(CC3O)(C)C5(C)C(=CC4O)C6C(C(O)=O)(CCC(C)(C)C6)CC5

salsolin B InChi 编码: InChI=1/C36H58O12/c1-31(2)8-10-35(30(45)46)11-9-33(4)18(19(35)13-31)12-20(40)27-32(3)7-6-23(48-29-26(44)25(43)24(42)22(15-37)47-29)36(16-38,17-39)28(32)21(41)14-34(27,33)5/h12,19-29,37-44H,6-11,13-17H2,1-5H3,(H,45,46)/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28+,29-,32+,33+,34+,35-/m0/s1

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