Mrv1572004221603242D 74 77 0 0 1 0 999 V2000 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6020 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1895 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0770 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.8743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4895 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -3.1599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.4454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 -4.5888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8254 1.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -0.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 19 17 1 0 0 0 0 20 2 1 6 0 0 0 20 15 1 0 0 0 0 21 3 1 1 0 0 0 22 4 1 6 0 0 0 23 5 1 1 0 0 0 24 6 1 1 0 0 0 25 7 1 6 0 0 0 25 21 1 0 0 0 0 26 8 1 6 0 0 0 27 9 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 15 1 0 0 0 0 31 16 1 0 0 0 0 32 16 1 0 0 0 0 33 19 1 0 0 0 0 33 22 1 0 0 0 0 34 21 1 0 0 0 0 34 23 1 0 0 0 0 35 22 1 0 0 0 0 35 24 1 0 0 0 0 36 26 1 0 0 0 0 36 31 1 0 0 0 0 37 30 1 0 0 0 0 38 23 1 0 0 0 0 39 24 1 0 0 0 0 40 37 1 0 0 0 0 41 17 1 0 0 0 0 41 18 1 0 0 0 0 41 38 1 0 0 0 0 42 12 1 0 0 0 0 42 13 1 0 0 0 0 30 42 1 6 0 0 0 43 27 2 0 0 0 0 44 28 2 0 0 0 0 45 29 2 0 0 0 0 46 38 2 0 0 0 0 47 39 2 0 0 0 0 48 14 1 0 0 0 0 31 48 1 6 0 0 0 49 18 1 0 0 0 0 41 49 1 1 0 0 0 50 20 1 0 0 0 0 50 40 1 0 0 0 0 51 26 1 0 0 0 0 51 32 1 0 0 0 0 52 25 1 0 0 0 0 52 39 1 0 0 0 0 53 27 1 0 0 0 0 34 53 1 1 0 0 0 54 28 1 0 0 0 0 36 54 1 6 0 0 0 55 29 1 0 0 0 0 37 55 1 1 0 0 0 32 56 1 1 0 0 0 35 56 1 6 0 0 0 33 57 1 1 0 0 0 40 57 1 1 0 0 0 19 58 1 1 0 0 0 20 59 1 1 0 0 0 21 60 1 6 0 0 0 22 61 1 1 0 0 0 23 62 1 6 0 0 0 24 63 1 1 0 0 0 25 64 1 1 0 0 0 26 65 1 1 0 0 0 30 66 1 1 0 0 0 31 67 1 1 0 0 0 32 68 1 6 0 0 0 33 69 1 6 0 0 0 34 70 1 6 0 0 0 35 71 1 6 0 0 0 36 72 1 6 0 0 0 37 73 1 6 0 0 0 40 74 1 1 0 0 0 M END > CHEM016925 > chemdb > [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(OC(C)=O)[C@]([H])(O[C@@]2([H])[C@@]([H])(C)C[C@]3(CO3)C(=O)[C@]([H])(C)[C@@]([H])(OC(C)=O)[C@@]([H])(C)[C@@]([H])(C)OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(OC(C)=O)[C@]([H])(C)O3)[C@]2([H])C)O1 > InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41-/m0/s1 > LQCLVBQBTUVCEQ-MCQAQMIOSA-N > C41H67NO15 > 813.979 > 813.451070461 > 12 > 124 > 86.04642176057118 > 0 > 0 > 0 > 0 > (3S,5R,6S,7S,8R,11R,12S,13R,14S,15S)-14-{[(2S,3R,4S,6R)-3-(acetyloxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-12-{[(2R,4S,5S,6S)-5-(acetyloxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate > 3.76 > 4.298514644666666 > -4.63 > 1 > 4 > 1 > 16.753065354218315 > 7.867024279540295 > 184.18999999999994 > 201.14700000000005 > 12 > 0 > 1.92e-02 g/l > troleandomycin > 0 > Troleandomycin > 2751-09-9 $$$$