16051942 -OEChem-04242423382D 59 62 0 1 0 0 0 0 0999 V2000 4.7950 0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.6870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.6870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.3130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.1939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 1.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 1.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 2.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 3.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 3.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 54 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 20 2 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 6 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 29 1 1 0 0 0 8 11 1 0 0 0 0 8 17 1 6 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 6 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 21 1 6 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 1 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 26 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 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > 16051942 > 1 > 752 > 4 > 1 > 2 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACAAADxSggAICCAAABgCIAqDSCAAAAAAgAAAICAEAAEgAEBIAAQAAQAAEgAAIAYOI7PzPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > methyl (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate > (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester > methyl (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate > methyl (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate > methyl (8S,9S,10R,11S,13S,14S,16R,17S)-10,13,16,17-tetramethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate > (8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-3-keto-10,13,16,17-tetramethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester > InChI=1S/C23H32O4/c1-13-10-17-16-7-6-14-11-15(24)8-9-21(14,2)19(16)18(25)12-22(17,3)23(13,4)20(26)27-5/h8-9,11,13,16-19,25H,6-7,10,12H2,1-5H3/t13-,16+,17+,18+,19-,21+,22+,23-/m1/s1 > HJPMTDNGLRNDJA-ZVXCBTRXSA-N > 3.8 > 372.23005950 > C23H32O4 > 372.5 > CC1CC2C3CCC4=CC(=O)C=CC4(C3C(CC2(C1(C)C(=O)OC)C)O)C > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@@]1(C)C(=O)OC)C)O)C > 63.6 > 372.23005950 > 0 > 27 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 5 11 21 6 14 22 5 5 16 5 6 28 6 7 29 5 8 17 6 9 30 6 $$$$