5753 -OEChem-03292403432D 55 58 0 1 0 0 0 0 0999 V2000 4.7950 0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.2277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 0.5839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 1.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2423 1.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 2.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 51 1 0 0 0 0 2 21 2 0 0 0 0 3 24 2 0 0 0 0 4 25 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 6 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 6 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 1 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 1 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 M END > 5753 > 1 > 638 > 4 > 2 > 2 > AAADceB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgCIAqBSAAIAAAAgAAAACAFAAEgAEBIAAQAAQAAEgAAIAQOIzPDPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 > OMFXVFTZEKFJBZ-HJTSIMOOSA-N > 1.9 > 346.21440943 > C21H30O4 > 346.5 > CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O > C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O > 74.6 > 346.21440943 > 0 > 25 > 7 > 0 > 0 > 0 > 0 > 1 > 20 > 1 5 255 > 12 1 5 11 21 5 5 26 6 6 17 5 7 27 5 8 28 6 9 20 5 $$$$