76324560 -OEChem-04252406472D 67 70 0 1 0 0 0 0 0999 V2000 7.5430 1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -2.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 -0.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 1.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8191 1.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 -0.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2513 -0.5091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4753 -0.5248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3828 -0.0134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4725 -1.5664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2268 0.6723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2726 -1.5505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9029 1.6413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5398 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 -2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5457 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4703 0.8179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1804 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 -1.5830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6005 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -2.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 -1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8072 2.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1679 2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 0.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -2.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 0.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 2.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 -2.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 -2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9516 0.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8771 0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 2.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 2.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -0.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 0.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 0.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 0.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 -3.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 -3.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5133 -3.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 -3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5816 -2.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 0.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 -2.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7948 1.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4155 1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -1.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 -2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -2.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7461 2.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3915 3.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 3.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 58 1 0 0 0 0 13 2 1 6 0 0 0 2 59 1 0 0 0 0 22 3 1 1 0 0 0 3 28 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 27 1 0 0 0 0 6 29 1 0 0 0 0 7 28 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 24 1 6 0 0 0 10 20 1 0 0 0 0 10 32 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 1 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 14 36 1 6 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 23 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 1 0 0 0 18 41 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 M END > 76324560 > 1 > 791 > 7 > 2 > 5 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgAAAADAAAAAGgAACAAADxSggAICCAAABgAIAICQCAAAAAAAAAAAAAEAAAAAEBYAAAACQAAFIAAAAAHL7vyvgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-2,16-dihydroxy-5,5,9-trimethyl-11,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > acetic acid [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-2,16-dihydroxy-5,5,9-trimethyl-11,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ester > [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-2,16-dihydroxy-5,5,9-trimethyl-11,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-2,16-dihydroxy-5,5,9-trimethyl-11,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-5,5,9-trimethyl-2,16-bis(oxidanyl)-11,15-bis(oxidanylidene)-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ethanoate > acetic acid [(1R,2R,4S,6S,9R,10S,13S,14S,16R)-14-(ethoxymethyl)-2,16-dihydroxy-11,15-diketo-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ester > InChI=1S/C24H36O7/c1-6-30-11-14-13-9-15(26)19-23(5)8-7-18(31-12(2)25)22(3,4)16(23)10-17(27)24(19,20(13)28)21(14)29/h13-14,16-20,27-28H,6-11H2,1-5H3/t13-,14+,16+,17+,18-,19-,20+,23+,24-/m0/s1 > FGAPYAJNPFGUCX-KAMFQRNMSA-N > 1 > 436.24610348 > C24H36O7 > 436.5 > CCOCC1C2CC(=O)C3C4(CCC(C(C4CC(C3(C2O)C1=O)O)(C)C)OC(=O)C)C > CCOC[C@@H]1[C@@H]2CC(=O)[C@H]3[C@@]4(CC[C@@H](C([C@H]4C[C@H]([C@]3([C@@H]2O)C1=O)O)(C)C)OC(=O)C)C > 110 > 436.24610348 > 0 > 31 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 6 10 32 5 11 33 5 14 36 6 18 27 5 13 2 6 22 3 5 8 19 5 9 24 6 $$$$