9904788 -OEChem-03282412352D 49 52 0 1 0 0 0 0 0999 V2000 8.6500 2.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.5785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.0785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.0785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 0.9215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.5854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 0.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 0.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 0.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 1.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 24 1 1 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 6 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 1 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 3 0 0 0 0 23 49 1 0 0 0 0 M END > 9904788 > 1 > 648 > 2 > 0 > 1 > AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADwSAgAACAAAAAADIGqBSAAgAAAAgAAAACAEAAEgAABIAAQAAAAAAgAAIAQMIiMCPgAAAAAAAAACAAAQAACAAAAAACAAAAA== > (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione > (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione > (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione > (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione > (8R,9S,10S,13S,14S)-13-methyl-10-prop-2-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione > (8R,9S,10S,13S,14S)-13-methyl-10-propargyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone > InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1 > JKPDEYAOCSQBSZ-OEUJLIAZSA-N > 2.8 > 310.193280068 > C21H26O2 > 310.4 > CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CC#C > C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CC#C > 34.1 > 310.193280068 > 0 > 23 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 3 24 5 4 25 6 5 26 6 6 17 5 7 18 5 $$$$