70313582 -OEChem-04252401272D 80 85 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 7.1908 0.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 0.7922 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 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 10.5216 -1.1432 0.0000 C 0 0 2 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 -0.6432 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 9.6555 0.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5216 0.8568 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 7.8187 -0.5860 0.0000 C 0 0 1 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 7.8021 -2.7414 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 11.3876 1.3568 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 0 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 0 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 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 9.4435 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 10.9201 1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 1.3317 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 8.2272 -0.1196 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 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 9.3206 -0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 -0.2531 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 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 6.5782 0.0964 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 8.8206 1.2641 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 5.7444 -1.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3486 -0.6104 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 2.7882 -2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 -2.7673 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 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 13 1 1 1 0 0 0 1 65 1 0 0 0 0 16 2 1 1 0 0 0 2 66 1 0 0 0 0 23 3 1 1 0 0 0 3 67 1 0 0 0 0 4 26 1 0 0 0 0 4 70 1 0 0 0 0 29 5 1 1 0 0 0 33 5 1 6 0 0 0 6 31 1 0 0 0 0 6 34 1 0 0 0 0 7 33 1 0 0 0 0 7 37 1 0 0 0 0 8 34 2 0 0 0 0 36 9 1 1 0 0 0 9 79 1 0 0 0 0 38 10 1 6 0 0 0 10 80 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 39 1 1 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 40 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 1 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 26 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 41 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 24 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 24 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 28 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 72 1 0 0 0 0 35 36 1 0 0 0 0 35 73 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 76 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 M END > 70313582 > 1 > 987 > 10 > 6 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 3-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2S,4S,5S)-4,5-dihydroxytetrahydropyran-2-yl]oxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[[(2S,4S,5S)-4,5-dihydroxy-2-oxanyl]oxy]-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2S,4S,5S)-4,5-dihydroxyoxan-2-yl]oxy-1,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2S,4S,5S)-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-(hydroxymethyl)-13-methyl-1,5,14-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-[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2S,4S,5S)-4,5-dihydroxytetrahydropyran-2-yl]oxy-1,5,14-trihydroxy-13-methyl-10-methylol-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/C28H42O10/c1-25-5-2-18-19(28(25,35)7-4-17(25)15-8-23(33)36-12-15)3-6-26(34)11-16(9-22(32)27(18,26)14-29)38-24-10-20(30)21(31)13-37-24/h8,16-22,24,29-32,34-35H,2-7,9-14H2,1H3/t16-,17+,18-,19+,20-,21-,22+,24-,25+,26-,27-,28-/m0/s1 > GIQHMGNJECFMHM-TVQWUILSSA-N > -1.3 > 538.27779753 > C28H42O10 > 538.6 > CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(C(CC(C5)OC6CC(C(CO6)O)O)O)CO)O > C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O[C@H]6C[C@@H]([C@H](CO6)O)O)O)CO)O > 166 > 538.27779753 > 0 > 38 > 12 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 38 10 6 11 39 5 12 40 6 14 27 5 15 26 5 19 30 5 16 2 5 23 3 5 29 5 5 33 5 6 36 9 5 $$$$