Mrv0541 02241214192D 67 72 0 0 0 0 999 V2000 1.0100 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2276 -0.1523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1849 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -0.8668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4224 -0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 1.2767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6600 0.5621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2475 1.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.9747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6600 -0.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3744 -0.6754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0889 -0.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0889 0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.3209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8349 0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 -0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 1.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 2.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4225 2.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7798 1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 1.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 -0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 -1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 -2.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 -2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 -2.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 -3.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 -3.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 -2.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -2.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 -3.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 -1.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6887 0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2959 -0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5491 -0.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8721 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -0.5311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4483 -0.0596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7015 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 -1.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -1.2779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 -1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 -3.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6467 -4.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8498 -4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 -3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 -1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 0.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -0.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8391 1.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3745 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 1.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 7 1 1 0 0 0 0 1 6 1 0 0 0 0 8 9 1 0 0 0 0 7 9 1 0 0 0 0 2 10 1 0 0 0 0 3 50 1 6 0 0 0 8 11 1 0 0 0 0 12 8 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 5 16 1 0 0 0 0 16 12 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 9 19 2 0 0 0 0 7 20 1 1 0 0 0 20 21 1 0 0 0 0 8 22 1 1 0 0 0 11 23 1 1 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 13 26 1 0 0 0 0 26 25 1 0 0 0 0 13 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 16 31 1 6 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 37 38 1 0 0 0 0 38 31 1 0 0 0 0 38 39 2 0 0 0 0 5 40 1 1 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 41 46 1 0 0 0 0 47 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 48 52 1 1 0 0 0 47 53 1 1 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 56 59 1 0 0 0 0 54 60 2 0 0 0 0 48 61 1 6 0 0 0 3 62 1 1 0 0 0 16 63 1 1 0 0 0 7 64 1 6 0 0 0 12 65 1 6 0 0 0 11 66 1 6 0 0 0 14 67 1 6 0 0 0 M END > DB06772 > drugbank > [H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O > InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1 > InChIKey=BMQGVNUXMIRLCK-OAGWZNDDSA-N > 10 > 86.3907146743966 > 0 > 3 > 835.377905537 > 0 > C45H57NO14 > 0 > (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate > 3.69 > 4.203043962333334 > -5.31 > 835.9324 > 1 > 6 > 0 > 13.181431947244487 > 11.967098776181363 > -3.554837636886564 > 202.45 > 213.40410000000006 > 15 > 0 > 4.13e-03 g/l > (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate > 0 > DB06772 > approved > Cabazitaxel > Taxoid XRP6258; TXD258; XRP6258 > Jevtana $$$$