46935979 -OEChem-04262404022D 80 83 0 1 0 0 0 0 0999 V2000 5.2710 -3.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -3.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.1264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.8736 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1968 -0.8736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.4312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.4220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.9428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.3817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2945 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5179 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0526 -4.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.7446 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7640 3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 -1.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -3.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6193 -2.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 -3.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7447 -4.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 -4.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3606 -3.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 2.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2608 2.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 3.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 1.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 1.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 3.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 4.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 4.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 60 1 0 0 0 0 16 2 1 1 0 0 0 2 26 1 0 0 0 0 23 3 1 1 0 0 0 3 65 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 1 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 6 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 1 0 0 0 8 14 1 0 0 0 0 8 20 1 1 0 0 0 8 35 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 22 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 23 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 2 0 0 0 0 25 64 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 28 1 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 M END > 46935979 > 1 > 756 > 3 > 2 > 5 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAAD1SggAICAAAABgCAAiBCAAAAAAAgAAAICAAAAAgBFAIAIQAAUAAFwAALIAPA4PQPgAAAAAAAAADAAAYQADAAAQAACAAAAA== > (3S,5R,6R,9S,10R,13R,17R)-6-methoxy-10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > (3S,5R,6R,9S,10R,13R,17R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > (3S,5R,6R,9S,10R,13R,17R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > (3S,5R,6R,9S,10R,13R,17R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > (3S,5R,6R,9S,10R,13R,17R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > (3S,5R,6R,9S,10R,13R,17R)-6-methoxy-10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol > InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19?,20?,21-,23+,24?,25-,26+,27+,28+,29-/m0/s1 > GQVCGTRDXSDAHC-OLZLCCFISA-N > 6.1 > 444.36034539 > C29H48O3 > 444.7 > CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)OC)C > CC(C)C(C)/C=C/C(C)[C@H]1CCC2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)OC)C > 49.7 > 444.36034539 > 0 > 32 > 7 > 3 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 6 16 2 5 20 24 3 28 30 3 23 3 5 4 19 5 5 13 3 6 34 6 7 21 5 8 20 5 $$$$