16626 -OEChem-04232408192D 64 67 0 1 0 0 0 0 0999 V2000 7.4149 -1.5475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 1.5410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 2.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -3.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 1.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 0.4840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 1.7887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.0229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.0576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -1.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.5412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0319 2.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -1.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4264 -2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9872 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 -3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 3.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 2.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 2.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 2.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 1.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5491 -1.6775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 1.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 2.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 3.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 2.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2927 0.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 2.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 3.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 2.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 2.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.2342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9944 -3.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 -3.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 -2.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 3.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 3.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3866 3.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 27 1 0 0 0 0 21 2 1 6 0 0 0 2 28 1 0 0 0 0 11 3 1 1 0 0 0 3 55 1 0 0 0 0 4 26 2 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 6 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 1 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 6 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 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 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > 16626 > 1 > 822 > 6 > 1 > 4 > AAADcfB4OABgAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgQACAAAD0SEwACCAAAAAgiIAqBSAAAAAAAgABAACAEAAEgAABIgAQAAQAAEgAAoAQOIyPCPgAAAAAAAAACgAAUAACgAAYAADAAAAA== > S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate > ethanethioic acid S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-(acetylthio)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ester > S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate > S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate > S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-ethanoylsulfanyl-10,13,17-trimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate > ethanethioic acid S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-(acetylthio)-17-hydroxy-3-keto-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ester > InChI=1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1 > YUOZKOLALXNELS-SQVYRKCQSA-N > 3.6 > 450.18985191 > C24H34O4S2 > 450.7 > CC(=O)SC1CC2=CC(=O)CC(C2(C3C1C4CCC(C4(CC3)C)(C)O)C)SC(=O)C > CC(=O)S[C@@H]1CC2=CC(=O)C[C@@H]([C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C)SC(=O)C > 122 > 450.18985191 > 0 > 30 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 1 6 10 33 6 12 23 5 21 2 6 11 3 5 7 18 5 8 31 6 9 32 5 $$$$