441843 -OEChem-06201301522D 83 88 0 1 0 0 0 0 0999 V2000 11.3876 -1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7298 -3.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5216 1.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 -2.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6473 3.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4078 3.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 0.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 -0.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5216 -1.1432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6555 -0.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3876 0.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7455 -1.1501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7375 -2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5216 0.8568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6555 0.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3338 0.6615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5376 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3338 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6396 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9174 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8187 -0.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8021 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7532 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -2.1989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6445 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0581 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5960 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 -2.1922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5978 2.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.1922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2702 -0.6889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3984 -2.1856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4022 -1.1856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5304 -2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 -1.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 -0.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 1.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4435 0.9394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 0.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9463 0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 -2.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1468 -2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0828 -1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8712 -1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 -3.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0405 -3.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3783 -0.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3783 0.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2269 -0.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4288 -0.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4048 -3.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2030 -3.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0076 1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3876 1.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7676 1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 -0.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7580 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 -0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6662 -0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2592 -1.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8612 -2.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9245 -1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -3.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 2.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5966 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -2.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -1.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -0.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -2.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0046 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -2.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -3.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7383 0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 67 1 0 0 0 0 16 2 1 1 0 0 0 2 68 1 0 0 0 0 17 3 1 1 0 0 0 3 69 1 0 0 0 0 29 4 1 1 0 0 0 33 4 1 6 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 33 1 0 0 0 0 6 37 1 0 0 0 0 7 34 2 0 0 0 0 35 8 1 1 0 0 0 8 78 1 0 0 0 0 36 9 1 1 0 0 0 9 82 1 0 0 0 0 38 10 1 6 0 0 0 10 83 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 40 1 1 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 6 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 27 1 1 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 23 1 0 0 0 0 19 30 1 1 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 34 1 0 0 0 0 32 72 1 0 0 0 0 33 35 1 0 0 0 0 33 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 1 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 M END > 441843 > 1 > 1030 > 10 > 6 > 3 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,12,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5S,8R,9S,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)19-11-20(30)27(3)17(15-10-21(31)37-13-15)6-9-29(27,36)18(19)5-8-28(26,35)12-16/h10,14,16-20,22-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 > VRDSLDHRGHMDAC-KDCJLTIJSA-N > -1.1 > 552.293448 > C29H44O10 > 552.65366 > CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O > 166 > 552.293448 > 0 > 39 > 14 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 1 5 38 10 6 12 40 5 13 41 6 14 26 5 15 27 5 19 30 5 16 2 5 17 3 5 37 39 5 29 4 5 33 4 6 35 8 5 36 9 5 $$$$