Mrv0541 10151420142D 82 88 0 0 1 0 999 V2000 11.9087 0.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0313 -0.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 -2.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -2.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 2.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6919 -2.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1633 -3.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5322 -5.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0596 -6.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9075 -0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3695 0.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0873 -0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9553 2.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1910 1.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5492 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3524 -5.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8704 -4.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 1.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1444 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 -1.7187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2098 -1.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6064 1.7795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9705 3.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5787 -3.6303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3990 -3.7450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7184 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2004 0.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6624 1.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5958 2.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1167 -4.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5216 -4.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7013 -4.7582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9835 -3.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2429 2.9901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2299 -4.1369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4933 0.9623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4455 -2.2252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2858 -4.5622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2158 2.1656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2469 1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 1.1582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8315 1.7461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5423 3.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9942 -3.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1338 0.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 2.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 -5.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8144 -3.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7478 -3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 1.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 -3.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -5.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9647 0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4921 -0.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 -0.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 1.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 -1.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3430 -3.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 -4.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 -0.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7755 2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 2.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8810 -4.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 -5.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4656 -4.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -2.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 3.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0471 -4.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3801 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 -2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6347 -4.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 2.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 17 16 1 0 0 0 0 24 1 1 0 0 0 0 24 2 1 0 0 0 0 25 3 1 1 0 0 0 25 12 1 0 0 0 0 26 4 1 0 0 0 0 26 14 2 0 0 0 0 27 5 1 6 0 0 0 27 16 1 0 0 0 0 28 6 1 0 0 0 0 28 18 2 0 0 0 0 29 7 1 1 0 0 0 30 8 1 1 0 0 0 31 13 2 0 0 0 0 31 23 1 0 0 0 0 32 15 1 0 0 0 0 32 19 1 0 0 0 0 33 19 1 0 0 0 0 33 22 1 0 0 0 0 34 18 1 0 0 0 0 35 20 1 0 0 0 0 36 21 1 0 0 0 0 37 20 1 0 0 0 0 38 21 1 0 0 0 0 39 28 1 0 0 0 0 40 29 1 0 0 0 0 40 35 1 0 0 0 0 41 24 1 1 0 0 0 41 27 1 0 0 0 0 42 25 1 0 0 0 0 42 26 1 0 0 0 0 43 30 1 0 0 0 0 43 36 1 0 0 0 0 44 39 1 0 0 0 0 45 34 1 0 0 0 0 46 17 1 0 0 0 0 46 22 1 0 0 0 0 47 31 1 0 0 0 0 47 34 1 0 0 0 0 47 44 1 0 0 0 0 39 48 1 6 0 0 0 40 49 1 6 0 0 0 50 45 2 0 0 0 0 47 51 1 1 0 0 0 52 9 1 0 0 0 0 35 52 1 1 0 0 0 53 10 1 0 0 0 0 36 53 1 1 0 0 0 54 23 1 0 0 0 0 54 44 1 0 0 0 0 55 29 1 0 0 0 0 55 37 1 0 0 0 0 56 30 1 0 0 0 0 56 38 1 0 0 0 0 57 33 1 0 0 0 0 57 45 1 0 0 0 0 38 58 1 6 0 0 0 42 58 1 1 0 0 0 37 59 1 1 0 0 0 43 59 1 1 0 0 0 60 32 1 0 0 0 0 46 60 1 6 0 0 0 61 41 1 0 0 0 0 61 46 1 0 0 0 0 62 11 1 0 0 0 0 63 12 1 0 0 0 0 64 13 1 0 0 0 0 65 14 1 0 0 0 0 25 66 1 6 0 0 0 27 67 1 1 0 0 0 29 68 1 6 0 0 0 30 69 1 6 0 0 0 32 70 1 1 0 0 0 33 71 1 1 0 0 0 34 72 1 6 0 0 0 35 73 1 6 0 0 0 36 74 1 6 0 0 0 37 75 1 1 0 0 0 38 76 1 1 0 0 0 39 77 1 1 0 0 0 40 78 1 1 0 0 0 41 79 1 6 0 0 0 42 80 1 6 0 0 0 43 81 1 1 0 0 0 44 82 1 1 0 0 0 M END > CHEM003950 > chemdb > [H]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O3)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])[C@]([H])(O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(CC[C@]([H])(C)[C@]([H])(O1)C(C)C)C4)[C@]23O > InChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1 > VARHUCVRRNANBD-PVVXTEPVSA-N > C47H72O14 > 861.0662 > 860.492207012 > 13 > 133 > 94.70515829570388 > 0 > 3 > 0 > 0 > (1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one > 4.04 > 5.381176990666667 > -5.04 > 1 > 7 > 0 > 13.169097736330777 > 12.467904937195897 > -3.4490751341790826 > 170.05999999999997 > 225.72660000000005 > 7 > 0 > 7.85e-03 g/l > (1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-isopropyl-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one > 0 > T3D4996 > 22,23-dihydroavermectin b1b > 70209-81-3 > 22,23-Dihydroavermectin b1b; Ascapil; Avermectin H2b1b; Detebencil; Dihydroavermectin b1b; Ermetin; Gotax; H2b1b; Imectin; Ivectin; Ivera; Ivergot; Ivermec; Ivermectin; Ivermectin b1b; Ivermectin component b1b; Ivermectina; Ivermectine; Ivermectinum; Ivexterm; Ivori; Kaonol; Kilox; Maikeding; Quanox; Revectina; Scabo; Scavista; Securo; Sklice; Stromectol; Vermectin > Drug; Avermectin; Metabolite; Lachrymator; Synthetic Compound; Antiparasitic Agent $$$$