200110 -OEChem-05241307372D 64 67 0 1 0 0 0 0 0999 V2000 8.5677 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2781 1.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7289 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -0.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -0.9245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.4869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8697 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.9733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4561 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7773 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0353 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -2.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 0.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -0.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5647 -3.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -4.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 -3.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -1.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8197 -0.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9583 0.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4510 3.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 3.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6196 3.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 27 1 0 0 0 0 2 21 2 0 0 0 0 25 3 1 1 0 0 0 3 61 1 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 6 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 6 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 1 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 6 0 0 0 16 42 1 0 0 0 0 17 23 2 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 M END > 200110 > 1 > 726 > 4 > 1 > 3 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAAD1SggAICCAAABgCIAqDSCAIAAAAgAAAACAFAAAgAFBIAAQQCUAAEgAAIEAOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate > acetic acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate > [(3S,6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate > acetic acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C24H36O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,17-20,27H,6-12H2,1-5H3/t14-,17-,18+,19-,20-,22+,23-,24-/m0/s1 > ODVZWAWQENIRKD-CKRBXLRKSA-N > 3.9 > 388.26136 > C24H36O4 > 388.54024 > CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(CC4)O)C > C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O)C > 63.6 > 388.26136 > 0 > 28 > 8 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 10 1 6 16 24 6 25 3 5 5 29 6 6 18 5 7 30 5 8 31 6 9 20 5 $$$$