9416 -OEChem-04262417072D 69 72 0 1 0 0 0 0 0999 V2000 8.6500 0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2963 -0.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.9168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -0.9168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.4168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -2.4236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -4.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2283 2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2068 2.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5175 3.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4960 4.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -1.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -1.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -4.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -1.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -1.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -1.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -0.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -1.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -1.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -2.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 2.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3253 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9382 1.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5315 1.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2077 3.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6145 2.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8206 2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 4.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9037 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6238 3.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1027 4.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3681 4.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 6 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 31 1 1 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 6 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 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 17 1 0 0 0 0 15 21 2 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 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 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 M END > 9416 > 1 > 679 > 3 > 0 > 7 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADxSggAICCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAAAA== > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > heptanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > enanthic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1 > VOCBWIIFXDYGNZ-IXKNJLPQSA-N > 6.3 > 400.29774513 > C26H40O3 > 400.6 > CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C > CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C > 43.4 > 400.29774513 > 0 > 29 > 6 > 0 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 11 1 5 4 30 6 5 16 5 6 31 5 7 32 6 8 19 5 $$$$