169870 -OEChem-05082423442D 71 74 0 1 0 0 0 0 0999 V2000 8.0319 0.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.2662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.7662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.0385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -1.7731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 1.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 2.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 3.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.8802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -0.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -1.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 -1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 -1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4226 -0.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 1.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 1.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2952 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 3.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 2.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1445 2.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 3.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 2.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 26 1 0 0 0 0 2 21 2 0 0 0 0 3 24 2 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 6 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 1 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 34 1 6 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 1 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 25 58 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 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END > 169870 > 1 > 797 > 4 > 0 > 7 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAAD0SAgAACCAAABACIAqDSCAIAAAAgAAAACAFAAEgAABIAAQQCAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate > hexanoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester > [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate > [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate > [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate > hexanoic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1 > DOMWKUIIPQCAJU-LJHIYBGHSA-N > 5.7 > 428.29265975 > C27H40O4 > 428.6 > CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C > CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)C > 60.4 > 428.29265975 > 0 > 31 > 6 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 6 11 20 5 5 16 5 6 32 6 7 33 5 8 34 6 $$$$