24867490 -OEChem-04262400242D 87 92 0 1 0 0 0 0 0999 V2000 7.7662 1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7901 -1.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 5.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 6.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 2.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0303 2.6608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9021 1.1641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0380 0.6608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0260 -0.3808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2358 3.6334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9260 -0.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1701 1.1574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1662 2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6327 2.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 0.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8261 -0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.9051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1624 3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 4.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9386 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7709 5.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 4.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9038 5.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.0361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -5.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.0361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -3.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 4.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 0.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 2.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 3.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 1.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8129 3.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 4.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4357 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 -0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 3.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3856 4.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5482 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 -0.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 -1.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 -2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 1.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 1.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 5.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 5.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 4.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 3.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -1.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -0.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 68 1 0 0 0 0 19 2 1 1 0 0 0 2 69 1 0 0 0 0 20 3 1 6 0 0 0 3 70 1 0 0 0 0 26 4 1 1 0 0 0 4 75 1 0 0 0 0 5 30 1 0 0 0 0 5 76 1 0 0 0 0 32 6 1 1 0 0 0 36 6 1 1 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 35 2 0 0 0 0 9 36 1 0 0 0 0 9 39 1 0 0 0 0 37 10 1 6 0 0 0 10 82 1 0 0 0 0 38 11 1 6 0 0 0 11 86 1 0 0 0 0 40 12 1 1 0 0 0 12 87 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 21 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 42 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 6 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 17 30 1 1 0 0 0 18 24 1 0 0 0 0 18 28 1 0 0 0 0 18 44 1 6 0 0 0 19 25 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 31 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 28 60 1 1 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 37 38 1 0 0 0 0 37 78 1 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 6 0 0 0 39 80 1 0 0 0 0 40 81 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 M END > 24867490 > 1 > 1030 > 12 > 8 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAaIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgAIAACQCAAAAAAAAAAAAAEAAAAREBIAAAAiQAAFAAAHAAHK6PyPgAAAAAAAAADCAAYQADAAAYAADAAAAA== > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-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]tetrahydrofuran-2-one > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-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]-2-oxolanone > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-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]oxolan-2-one > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-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]oxolan-2-one > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,11,14-tetrakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one > (4R)-4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-13-methyl-10-methylol-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]tetrahydrofuran-2-one > InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 > ZTFGOPUOTATSAL-LZGKLYRASA-N > -1.2 > 586.29892690 > C29H46O12 > 586.7 > CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6CC(=O)OC6)O)CO)O)O)O)O > C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)[C@H]6CC(=O)OC6)O)CO)O)O)O)O > 207 > 586.29892690 > 0 > 41 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 37 10 6 38 11 6 40 12 5 14 27 5 15 42 5 16 43 6 17 30 5 18 44 6 19 2 5 28 60 5 20 3 6 39 41 6 26 4 5 32 6 5 36 6 5 $$$$