73604000 -OEChem-05052417112D 60 63 0 1 0 0 0 0 0999 V2000 9.1468 -1.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 1.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 1.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 -0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 -0.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4753 -0.1465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3828 0.3648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2513 -0.1308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4725 -1.1882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2726 -1.1722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2268 1.0505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5398 -1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3772 -1.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 1.3529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9029 2.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5457 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9053 2.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1804 0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5975 -1.2047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1359 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 -0.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4703 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -2.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4584 1.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8655 -1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 0.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 -2.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7805 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0654 1.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 2.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9516 0.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0851 2.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 2.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 -0.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9254 1.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 0.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 -0.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -2.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 -3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 -2.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5133 -2.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 -3.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5816 -2.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 -2.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 2.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 2.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8474 0.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6820 1.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 -1.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 -2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -2.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 53 1 0 0 0 0 12 2 1 6 0 0 0 2 54 1 0 0 0 0 15 3 1 6 0 0 0 3 55 1 0 0 0 0 20 4 1 1 0 0 0 4 27 1 0 0 0 0 5 19 2 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 6 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 1 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 1 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 1 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 20 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 36 1 6 0 0 0 17 22 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 26 2 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 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 M END > 73604000 > 1 > 743 > 6 > 3 > 2 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAABgAAAADAAAAAGgAACAAADxSggAICCAAABgCIAoDSCAAAAAAgAAAAAAEAAEgAEBYAAQACQAAF4AAAAIHK7PzPgAAAAAAAAADCAAYAADAAAQAABAAAAA== > [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > acetic acid [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ester > [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-2,11,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate > [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-5,5,9-trimethyl-14-methylidene-2,11,16-tris(oxidanyl)-15-oxidanylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ethanoate > acetic acid [(1R,2R,4S,6S,9R,10S,11R,13S,16R)-2,11,16-trihydroxy-15-keto-5,5,9-trimethyl-14-methylene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] ester > InChI=1S/C22H32O6/c1-10-12-8-13(24)17-21(5)7-6-16(28-11(2)23)20(3,4)14(21)9-15(25)22(17,18(10)26)19(12)27/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16-,17-,19+,21+,22+/m0/s1 > JKLOLXJMNPUYHT-PNYZBTJSSA-N > 1.5 > 392.21988874 > C22H32O6 > 392.5 > CC(=O)OC1CCC2(C(C1(C)C)CC(C34C2C(CC(C3O)C(=C)C4=O)O)O)C > CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)C[C@H]([C@]34[C@H]2[C@@H](C[C@H]([C@H]3O)C(=C)C4=O)O)O)C > 104 > 392.21988874 > 0 > 28 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 6 10 30 5 16 36 6 12 2 6 15 3 6 20 4 5 7 21 6 8 29 5 9 19 5 $$$$