Mrv1652309092222402D 41 44 0 0 1 0 999 V2000 4.2294 2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 1.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 2.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 1.5419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8298 1.5673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7125 1.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1427 2.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 3.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 3.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2518 0.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 -0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 -1.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 0.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9948 -0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5808 0.7540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1007 0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7104 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 1.4426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3272 2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 2.2931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4396 3.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 3.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1803 3.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 4.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 5.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4738 6.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 5.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 4.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 1.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1233 1.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 2.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 3.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 3.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 25 37 1 0 0 0 0 20 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 M END > NP0290129 > NP-MRD > C[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H](C[C@H]3[C@H](OC(C)=O)[C@@]12OC3(C)C)OC(=O)C1=CC=CC=C1 > InChI=1S/C30H38O11/c1-16-13-23(37-18(3)32)26(39-20(5)34)29(15-36-17(2)31)24(40-27(35)21-11-9-8-10-12-21)14-22-25(38-19(4)33)30(16,29)41-28(22,6)7/h8-12,16,22-26H,13-15H2,1-7H3/t16-,22-,23+,24+,25-,26+,29-,30-/m0/s1 > PBBYYGCXAHKQFJ-UKECEGMESA-N > C30H38O11 > 574.623 > 574.241412044 > 6 > 79 > 58.748819312531296 > 0 > 0 > 0 > 0 > (1R,2S,4R,5S,6S,7R,9S,12S)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate > 2.3688889786666656 > 1 > 4 > 0 > -4.230991385026445 > 140.73000000000002 > 140.38290000000003 > 12 > 0 > (1R,2S,4R,5S,6S,7R,9S,12S)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl benzoate > 0 > NP0290129 > (1r,2s,4r,5s,6s,7r,9s,12s)-4,5,12-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate $$$$