19688 -OEChem-05042405412D 68 71 0 1 0 0 0 0 0999 V2000 9.1493 1.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1650 -0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.3499 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6610 -0.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.4549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -1.3567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7246 2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 1.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5079 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3180 1.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2308 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 -1.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 2.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2198 1.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 1.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4375 0.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2303 0.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 1.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 1.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1603 0.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9532 0.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6655 2.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8727 2.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9776 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7968 0.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4840 1.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 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 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 6 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 1 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 2 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 3 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 23 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END > 19688 > 1 > 770 > 3 > 0 > 8 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAAD0SAgAACCAAABADIGqDSCAgAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA== > [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > heptanoic acid [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > [(9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate > enanthic acid [(9S,10R,13S,14S,17R)-17-ethynyl-3-keto-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester > InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23?,24-,26-,27-/m0/s1 > APTGJECXMIKIET-NPQQHUBFSA-N > 6 > 410.28209507 > C27H38O3 > 410.6 > CCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C > CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3C2CCC4=CC(=O)CC[C@H]34)C)C#C > 43.4 > 410.28209507 > 0 > 30 > 5 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 8 1 5 12 40 5 4 15 5 5 31 6 6 14 3 7 33 6 $$$$