Mrv0541 05041412522D 63 71 0 0 1 0 999 V2000 7.6166 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7353 -2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 -3.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2497 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 -4.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2172 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 -0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8819 3.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 3.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 2.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 -1.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1299 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6095 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6564 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5849 -0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5409 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1513 -2.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 -0.0924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6337 2.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 2.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 -1.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 2.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 -1.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 1.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 -1.1198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6709 -2.2294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2598 -2.4544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6729 0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7626 -3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3924 -0.3925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1299 -1.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5410 -1.4147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4977 0.7692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0304 -2.7493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7491 1.9427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 -2.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9135 1.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6406 -0.3051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 -3.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 -4.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5076 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 -3.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -0.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 1.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -3.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -2.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5364 -0.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 -1.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 -3.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 -2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 11 10 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 16 12 2 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 27 3 1 0 0 0 0 28 23 1 0 0 0 0 28 24 1 0 0 0 0 28 25 1 0 0 0 0 29 13 2 0 0 0 0 30 15 1 0 0 0 0 30 29 1 0 0 0 0 31 21 2 0 0 0 0 32 21 1 0 0 0 0 33 14 2 0 0 0 0 33 29 1 0 0 0 0 34 22 2 0 0 0 0 34 31 1 0 0 0 0 35 22 1 0 0 0 0 35 32 2 0 0 0 0 36 30 2 0 0 0 0 42 8 1 6 0 0 0 42 23 1 0 0 0 0 42 26 1 0 0 0 0 43 9 1 1 0 0 0 43 16 1 0 0 0 0 43 37 1 0 0 0 0 43 39 1 0 0 0 0 44 17 1 0 0 0 0 44 31 1 1 0 0 0 44 37 1 0 0 0 0 44 38 1 0 0 0 0 45 24 1 0 0 0 0 45 32 1 6 0 0 0 45 36 1 0 0 0 0 45 40 1 1 0 0 0 46 38 1 0 0 0 0 46 39 1 0 0 0 0 46 41 1 1 0 0 0 47 33 1 0 0 0 0 47 36 1 0 0 0 0 48 4 1 0 0 0 0 48 34 1 0 0 0 0 48 38 1 0 0 0 0 49 19 1 0 0 0 0 49 25 1 0 0 0 0 49 26 1 0 0 0 0 50 18 1 0 0 0 0 50 20 1 0 0 0 0 50 37 1 0 0 0 0 51 27 2 0 0 0 0 52 40 2 0 0 0 0 53 41 2 0 0 0 0 42 54 1 1 0 0 0 46 55 1 6 0 0 0 56 5 1 0 0 0 0 56 35 1 0 0 0 0 57 6 1 0 0 0 0 57 40 1 0 0 0 0 58 7 1 0 0 0 0 58 41 1 0 0 0 0 59 27 1 0 0 0 0 39 59 1 6 0 0 0 28 60 1 6 0 0 0 37 61 1 1 0 0 0 38 62 1 6 0 0 0 39 63 1 1 0 0 0 M END > CHEM016043 > chemdb > [H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC > InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 > JXLYSJRDGCGARV-CFWMRBGOSA-N > C46H58N4O9 > 810.9741 > 810.420379474 > 9 > 87.80664640692062 > 1 > 3 > 0 > 0 > methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraene-10-carboxylate > 4.22 > 4.183145288000002 > -4.68 > 1 > 9 > 2 > 14.405148771657075 > 10.869524000991364 > 8.861449486805551 > 154.1 > 222.42060000000004 > 10 > 0 > 1.69e-02 g/l > vinblastine > 0 > Vinblastine sulfate > 143-67-9 > Human Neurotoxin $$$$