40839 Mrv0541 02231214352D 58 66 0 0 1 0 999 V2000 6.6644 -2.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6186 -4.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3213 -4.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7488 1.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -0.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3264 -0.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5845 4.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -2.4477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 -1.6221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2774 -3.2257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6815 3.6865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 1.0835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 -2.0348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3710 -2.6079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6414 -2.1953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6094 -3.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8797 -2.9286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5693 -1.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3637 -3.5017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1648 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3784 -1.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 -4.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0933 -3.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -3.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3391 -3.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4351 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 -4.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 1.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9722 1.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 1.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 2.3174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8785 0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1315 2.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 3.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 3.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4418 4.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 3.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5559 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 3.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 4.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 0.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 2.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 1.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 -1.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 -2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0953 2.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 19 2 1 6 0 0 0 3 27 2 0 0 0 0 4 33 1 0 0 0 0 4 47 1 0 0 0 0 5 38 1 0 0 0 0 5 53 1 0 0 0 0 6 38 2 0 0 0 0 42 7 1 1 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 9 29 1 0 0 0 0 10 27 1 0 0 0 0 11 40 1 0 0 0 0 11 43 1 0 0 0 0 11 45 1 0 0 0 0 12 36 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 1 0 0 0 15 17 1 0 0 0 0 15 57 1 6 0 0 0 16 19 1 0 0 0 0 16 22 1 1 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 28 2 0 0 0 0 22 31 1 0 0 0 0 23 30 2 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 38 1 1 0 0 0 35 37 1 0 0 0 0 36 41 2 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 37 58 1 1 0 0 0 39 42 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 44 45 1 0 0 0 0 46 48 1 0 0 0 0 46 50 2 0 0 0 0 48 51 2 0 0 0 0 49 52 1 0 0 0 0 50 54 1 0 0 0 0 51 55 1 0 0 0 0 54 55 2 0 0 0 0 M END > T3D2479 > t3db > [H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC > InChI=1S/C43H55N5O7/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1 > HHJUWIANJFBDHT-KOTLKJBCSA-N > C43H55N5O7 > 753.9261 > 753.410149139 > 9 > 82.57508559580496 > 1 > 5 > 0 > 0 > methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraene-13-carboxylate > 3.53 > 2.789183207999999 > -4.03 > 1 > 9 > 2 > 13.861704060660191 > 11.342997458827782 > 8.676353628093905 > 164.82 > 210.32219999999995 > 7 > 0 > 7.00e-02 g/l > vindesine > 0 > T3D2479 > Vindesine > 53643-48-4 > 3-(Aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; 3-Carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; Desacetylvinblastine amide; Desacetylvinblastine Amide Sulfate; Eldesine; Eldisine; Vindesine Sulfate > Organic Compound; Amine; Ether; Amide; Ester; Drug; Antineoplastic Agent; Antineoplastic Agent, Phytogenic; Tubulin Modulator; Metabolite; Synthetic Compound $$$$