Marvin 01051210532D 44 49 0 0 1 0 999 V2000 9.2889 -14.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8599 -14.0773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2889 -14.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1455 -13.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8599 -14.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5744 -15.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5744 -13.6648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5744 -12.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1455 -15.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 -15.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7178 -14.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7178 -14.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 -15.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 -15.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -14.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1468 -14.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1468 -14.0773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1468 -15.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 -13.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5757 -12.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0748 -13.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5597 -13.2522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2902 -12.8397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2902 -12.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2902 -13.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8992 -14.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8612 -12.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -14.0773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0748 -12.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5577 -13.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4873 -11.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2324 -11.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 -11.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5672 -11.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2817 -10.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8998 -10.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 -13.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1467 -16.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1464 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2934 -14.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3847 -13.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7972 -13.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3848 -14.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6222 -13.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 2 1 0 0 0 0 7 1 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 3 10 1 1 0 0 0 5 9 1 6 0 0 0 7 8 1 6 0 0 0 11 10 1 1 0 0 0 12 11 1 0 0 0 0 11 13 1 0 0 0 0 17 37 1 0 0 0 0 17 16 1 0 0 0 0 17 19 1 0 0 0 0 37 12 1 0 0 0 0 13 16 1 0 0 0 0 16 14 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 1 0 0 0 28 25 1 0 0 0 0 19 28 1 0 0 0 0 27 19 1 0 0 0 0 20 27 1 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 23 25 1 0 0 0 0 29 23 1 0 0 0 0 21 22 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 1 0 0 0 19 26 1 6 0 0 0 28 30 1 1 0 0 0 29 31 1 1 0 0 0 32 31 1 0 0 0 0 31 33 2 0 0 0 0 36 32 1 0 0 0 0 36 34 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 9 38 1 0 0 0 0 17 39 1 1 0 0 0 25 40 1 1 0 0 0 22 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 M END > CHEBI:59030 > oleandrin > A steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3. > 3 > Oleandrina; Neriostene; Neriolin; Folinerin; Foliandrin > (3beta,5beta,16beta)-16-acetoxy-3-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide > C32H48O9 > 576.71810 > 576.32983 > 0 > [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 > InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 > JLPDBLFIVFSOCC-XYXFTTADSA-N > 465-16-7 > 101529 > 465-16-7 > Oleandrin > 10438974; 23073998; 24172227; 24375780; 24431454; 26444270 $$$$