4605 -OEChem-04262400462D 85 90 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 4.2690 -3.5361 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 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 6.0380 0.6608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9021 1.1641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8982 2.1641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0303 2.6608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0260 -0.3808 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9260 -0.9051 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1701 1.1574 0.0000 C 0 0 3 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 6.2358 3.6334 0.0000 C 0 0 3 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 7.6327 2.8340 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 3 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 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 5.1624 3.1574 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 3 0 0 0 0 0 0 0 0 0 5.5650 4.3751 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 5.7709 5.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0361 0.0000 C 0 0 3 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 -5.0361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -5.5361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -4.0361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -5.0361 0.0000 C 0 0 3 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 6.5737 0.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 1.4803 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 6.4565 4.2128 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 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 8.0419 -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 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 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 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 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 3.8677 -1.6428 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 3.7774 -0.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 5.6070 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 1 15 1 0 0 0 0 1 67 1 0 0 0 0 2 18 1 0 0 0 0 2 68 1 0 0 0 0 3 19 1 0 0 0 0 3 69 1 0 0 0 0 4 25 1 0 0 0 0 4 70 1 0 0 0 0 5 28 1 0 0 0 0 5 73 1 0 0 0 0 6 31 1 0 0 0 0 6 35 1 0 0 0 0 7 33 1 0 0 0 0 7 36 1 0 0 0 0 8 35 1 0 0 0 0 8 39 1 0 0 0 0 9 36 2 0 0 0 0 10 37 1 0 0 0 0 10 80 1 0 0 0 0 11 38 1 0 0 0 0 11 84 1 0 0 0 0 12 40 1 0 0 0 0 12 85 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 28 1 0 0 0 0 18 24 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 21 32 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 26 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 30 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 36 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 37 38 1 0 0 0 0 37 76 1 0 0 0 0 38 40 1 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 M END > 4605 > 1 > 1080 > 12 > 8 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFgAAPIQPA4PwPgAAAAAAAAADCAAYQADAAAYAADAAAAA== > 3-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(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-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(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-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(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-[1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(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-[10-(hydroxymethyl)-13-methyl-3-[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]-2H-furan-5-one > 3-[1,5,11,14-tetrahydroxy-13-methyl-10-methylol-3-(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/C29H44O12/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/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3 > LPMXVESGRSUGHW-UHFFFAOYSA-N > -1.7 > 584.28327683 > C29H44O12 > 584.7 > CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O > CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O > 207 > 584.28327683 > 0 > 41 > 0 > 15 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 3 37 10 3 38 11 3 40 12 3 13 19 3 14 22 3 16 29 3 17 28 3 18 2 3 21 32 3 19 3 3 39 41 3 25 4 3 31 6 3 35 6 3 $$$$