5281326 DSViewer 3D 0 78 81 0 0 0 0 0 0 0 0999 V2000 0.2357 -5.5417 0.3106 O 0 0 0 0 0 0 0 0 0 1 7.5734 -0.8191 0.2240 C 0 0 1 0 0 0 0 0 0 2 7.6246 -2.2981 -0.0748 C 0 0 2 0 0 0 0 0 0 3 6.3309 -3.0380 0.3606 C 0 0 1 0 0 0 0 0 0 4 5.1094 -2.4268 -0.3366 C 0 0 1 0 0 0 0 0 0 5 9.0441 -0.4844 -0.2524 C 0 0 2 0 0 0 0 0 0 6 6.3697 -0.2001 -0.5573 C 0 0 0 0 0 0 0 0 0 7 3.8113 -3.1116 0.2556 C 0 0 2 0 0 0 0 0 0 8 8.8993 -2.7705 0.6702 C 0 0 0 0 0 0 0 0 0 9 5.0461 -0.8802 -0.0671 C 0 0 0 0 0 0 0 0 0 10 9.8376 -1.4949 0.6176 C 0 0 0 0 0 0 0 0 0 11 6.4027 -4.5323 -0.0402 C 0 0 0 0 0 0 0 0 0 12 9.5924 1.0100 -0.0749 C 0 0 1 0 0 0 0 0 0 13 7.4228 -0.5211 1.7527 C 0 0 0 0 0 0 0 0 0 14 3.8960 -4.6296 0.2279 C 0 0 0 0 0 0 0 0 0 15 2.5164 -2.6158 -0.4258 C 0 0 0 0 0 0 0 0 0 16 5.0775 -5.2605 0.1503 C 0 0 0 0 0 0 0 0 0 17 3.6508 -2.7327 1.7668 C 0 0 0 0 0 0 0 0 0 18 2.6491 -5.4398 0.5070 C 0 0 0 0 0 0 0 0 0 19 1.2738 -3.3316 0.1790 C 0 0 0 0 0 0 0 0 0 20 11.1055 1.1107 -0.4346 C 0 0 0 0 0 0 0 0 0 21 1.3889 -4.8309 -0.1577 C 0 0 2 0 0 0 0 0 0 22 8.8313 2.0368 -0.9480 C 0 0 0 0 0 0 0 0 0 23 11.5564 2.5880 -0.1847 C 0 0 0 0 0 0 0 0 0 24 13.0686 2.7714 -0.1829 C 0 0 0 0 0 0 0 0 0 25 13.6326 4.2028 0.0433 C 0 0 0 0 0 0 0 0 0 26 13.8462 1.6782 -0.2891 C 0 0 0 0 0 0 0 0 0 27 14.3526 4.7412 -1.2276 C 0 0 0 0 0 0 0 0 0 28 12.4912 5.1858 0.3852 C 0 0 0 0 0 0 0 0 0 29 15.3640 1.6824 -0.2270 C 0 0 0 0 0 0 0 0 0 30 7.7746 -2.3809 -1.1623 H 0 0 0 0 0 0 0 0 0 31 6.2219 -2.9278 1.4371 H 0 0 0 0 0 0 0 0 0 32 5.2135 -2.6126 -1.4164 H 0 0 0 0 0 0 0 0 0 33 9.1215 -0.7879 -1.3066 H 0 0 0 0 0 0 0 0 0 34 6.3225 0.8722 -0.3675 H 0 0 0 0 0 0 0 0 0 35 6.4976 -0.3753 -1.6255 H 0 0 0 0 0 0 0 0 0 36 8.6714 -3.0466 1.6997 H 0 0 0 0 0 0 0 0 0 37 9.3599 -3.6165 0.1600 H 0 0 0 0 0 0 0 0 0 38 4.1997 -0.4538 -0.6054 H 0 0 0 0 0 0 0 0 0 39 4.9236 -0.7043 1.0016 H 0 0 0 0 0 0 0 0 0 40 10.7949 -1.7364 0.1556 H 0 0 0 0 0 0 0 0 0 41 10.0066 -1.0963 1.6179 H 0 0 0 0 0 0 0 0 0 42 6.6877 -4.5976 -1.0902 H 0 0 0 0 0 0 0 0 0 43 7.1595 -5.0210 0.5733 H 0 0 0 0 0 0 0 0 0 44 9.4941 1.2931 0.9818 H 0 0 0 0 0 0 0 0 0 45 7.3911 0.5567 1.9120 H 0 0 0 0 0 0 0 0 0 46 8.2719 -0.9426 2.2909 H 0 0 0 0 0 0 0 0 0 47 6.5004 -0.9697 2.1217 H 0 0 0 0 0 0 0 0 0 48 2.4202 -1.5407 -0.2738 H 0 0 0 0 0 0 0 0 0 49 2.5687 -2.8290 -1.4934 H 0 0 0 0 0 0 0 0 0 50 5.0902 -6.3477 0.2274 H 0 0 0 0 0 0 0 0 0 51 2.7554 -3.2075 2.1678 H 0 0 0 0 0 0 0 0 0 52 3.5619 -1.6506 1.8632 H 0 0 0 0 0 0 0 0 0 53 4.5234 -3.0761 2.3226 H 0 0 0 0 0 0 0 0 0 54 2.7944 -6.4494 0.1227 H 0 0 0 0 0 0 0 0 0 55 2.4917 -5.4799 1.5848 H 0 0 0 0 0 0 0 0 0 56 1.2557 -3.1942 1.2602 H 0 0 0 0 0 0 0 0 0 57 0.3616 -2.9224 -0.2551 H 0 0 0 0 0 0 0 0 0 58 11.6828 0.4347 0.1962 H 0 0 0 0 0 0 0 0 0 59 11.2563 0.8488 -1.4819 H 0 0 0 0 0 0 0 0 0 60 1.4651 -4.9273 -1.2482 H 0 0 0 0 0 0 0 0 0 61 9.2468 3.0313 -0.7857 H 0 0 0 0 0 0 0 0 0 62 7.7761 2.0354 -0.6748 H 0 0 0 0 0 0 0 0 0 63 8.9344 1.7677 -1.9993 H 0 0 0 0 0 0 0 0 0 64 11.1343 3.2147 -0.9703 H 0 0 0 0 0 0 0 0 0 65 11.1694 2.9075 0.7829 H 0 0 0 0 0 0 0 0 0 66 -0.5793 -5.1659 -0.1039 H 0 0 0 0 0 0 0 0 0 67 14.3791 4.1800 0.8522 H 0 0 0 0 0 0 0 0 0 68 13.3498 0.7181 -0.4303 H 0 0 0 0 0 0 0 0 0 69 14.7338 5.7436 -1.0327 H 0 0 0 0 0 0 0 0 0 70 13.6472 4.7765 -2.0580 H 0 0 0 0 0 0 0 0 0 71 15.1815 4.0812 -1.4834 H 0 0 0 0 0 0 0 0 0 72 12.9037 6.1827 0.5402 H 0 0 0 0 0 0 0 0 0 73 11.9873 4.8563 1.2938 H 0 0 0 0 0 0 0 0 0 74 11.7760 5.2130 -0.4369 H 0 0 0 0 0 0 0 0 0 75 15.7355 0.6640 -0.3404 H 0 0 0 0 0 0 0 0 0 76 15.6877 2.0819 0.7341 H 0 0 0 0 0 0 0 0 0 77 15.7592 2.3043 -1.0303 H 0 0 0 0 0 0 0 0 0 78 22 1 1 0 0 0 1 67 1 0 0 0 2 3 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 14 1 0 0 0 3 4 1 0 0 0 3 9 1 0 0 0 3 31 1 0 0 0 4 5 1 0 0 0 4 12 1 0 0 0 4 32 1 0 0 0 5 8 1 0 0 0 5 10 1 0 0 0 5 33 1 0 0 0 6 11 1 0 0 0 6 13 1 0 0 0 6 34 1 0 0 0 7 10 1 0 0 0 7 35 1 0 0 0 7 36 1 0 0 0 8 15 1 0 0 0 8 16 1 0 0 0 8 18 1 0 0 0 9 11 1 0 0 0 9 37 1 0 0 0 9 38 1 0 0 0 10 39 1 0 0 0 10 40 1 0 0 0 11 41 1 0 0 0 11 42 1 0 0 0 12 17 1 0 0 0 12 43 1 0 0 0 12 44 1 0 0 0 13 21 1 0 0 0 13 23 1 0 0 0 13 45 1 0 0 0 14 46 1 0 0 0 14 47 1 0 0 0 14 48 1 0 0 0 15 17 2 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 16 49 1 0 0 0 16 50 1 0 0 0 17 51 1 0 0 0 18 52 1 0 0 0 18 53 1 0 0 0 18 54 1 0 0 0 19 22 1 0 0 0 19 55 1 0 0 0 19 56 1 0 0 0 20 22 1 0 0 0 20 57 1 0 0 0 20 58 1 0 0 0 21 24 1 0 0 0 21 59 1 0 0 0 21 60 1 0 0 0 22 61 1 0 0 0 23 62 1 0 0 0 23 63 1 0 0 0 23 64 1 0 0 0 24 25 1 0 0 0 24 65 1 0 0 0 24 66 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 26 28 1 0 0 0 26 29 1 0 0 0 26 68 1 0 0 0 27 30 1 0 0 0 27 69 1 0 0 0 28 70 1 0 0 0 28 71 1 0 0 0 28 72 1 0 0 0 29 73 1 0 0 0 29 74 1 0 0 0 29 75 1 0 0 0 30 76 1 0 0 0 30 77 1 0 0 0 30 78 1 0 0 0 M END > 5281326 > 1 > 687 > 1 > 1 > 5 > AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAEAIAAQAAQAAEwAAIAAOAwPAPgAAAAAAAAADAAAQAACAAAQAACAAAAA== > (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 > OSELKOCHBMDKEJ-WGMIZEQOSA-N > 8.9 > 412.371 > C29H48O > 412.691 > CC=C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C > C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C > 20.2 > 412.371 > 0 > 30 > 8 > 0 > 1 > 0 > 0 > 1 > 1 > 1 5 255 > 22 1 5 13 23 6 2 14 5 3 31 6 4 32 5 5 33 6 6 34 6 8 18 5 $$$$