11213350 -OEChem-04262413352D 85 88 0 1 0 0 0 0 0999 V2000 7.0628 1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1362 0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.7766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.2766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.2766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.7834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -0.2766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 -2.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -2.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.0282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 -2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 -2.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1857 0.9787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -4.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -4.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4964 1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 1.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7855 3.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0747 4.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4319 2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 0.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5997 0.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -2.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 -3.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 -2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -2.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 -2.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.7787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -4.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 2.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8826 2.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4278 1.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6459 1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0426 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5977 1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4954 1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0887 2.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3715 3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6640 4.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2673 4.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4854 4.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9704 2.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8459 2.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8933 2.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 69 1 0 0 0 0 22 2 1 1 0 0 0 2 75 1 0 0 0 0 23 3 1 1 0 0 0 3 76 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 1 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 6 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 34 1 6 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 1 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 35 1 1 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 36 1 6 0 0 0 10 15 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 12 41 1 6 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 24 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 30 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 31 2 0 0 0 0 30 79 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 M END > 11213350 > 1 > 783 > 3 > 3 > 4 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAAD1SggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEgAAIAAPAwPAPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol > InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1 > PYXFVCFISTUSOO-HKUCOEKDSA-N > 7.2 > 460.39164552 > C30H52O3 > 460.7 > CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C > CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C > 60.7 > 460.39164552 > 0 > 33 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 12 41 6 22 2 5 23 3 5 4 19 5 5 20 6 6 34 6 7 21 5 8 35 5 9 36 6 $$$$