testosterone undecanoate CDK 0223171739 null 36 39 0 0 0 0 0 0 0 0999 V2000 -4.2880 -3.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -4.4641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5754 -4.0484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2880 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0006 -4.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -4.4641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5754 -3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0006 -5.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7132 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -4.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8607 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7132 -5.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -3.2150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7229 -4.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4279 -5.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 -2.7993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7229 -3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 -1.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9965 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7112 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 -1.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -3.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 -4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 3 1 0 0 0 0 3 7 1 0 0 0 0 3 35 1 6 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 11 6 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 1 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 14 1 0 0 0 0 15 11 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 6 0 0 0 15 13 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 1 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:135741 > testosterone undecanoate > 2 > testosterone undecylate > C30H48O3 > 456.701 > 456.36035 > 0 > C[C@@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@H](CC4)OC(CCCCCCCCCC)=O)[H])(CCC1=CC(CC2)=O)[H])[H] > InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1 > UDSFVOAUHKGBEK-CNQKSJKFSA-N > 5949-44-0 $$$$