252294 -OEChem-04242420562D 69 73 0 1 0 0 0 0 0999 V2000 8.6500 1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9606 2.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -0.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.5291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 0.2757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.5775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8347 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3728 2.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7852 0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 1.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5295 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -0.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -3.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.1143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.3519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -3.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -3.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2150 0.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 -0.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8849 2.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 -0.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2731 -0.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9430 1.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4106 2.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8572 0.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1048 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 3.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 23 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 6 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 31 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 32 1 6 0 0 0 8 14 1 0 0 0 0 8 18 1 1 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 6 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 2 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 M END > 252294 > 1 > 677 > 3 > 0 > 3 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMEAAAAAAGDAAAAAGgAAAAAADxSggAICCAAABACIAKBSAAAAAAAgAAAICAEAAEgQABIAAAAiAAAEgAAMAYOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAAAA== > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexoxy)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexoxy)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C26H40O3/c1-24-15-11-19(27)17-18(24)7-8-20-21-9-10-23(25(21,2)16-12-22(20)24)29-26(28-3)13-5-4-6-14-26/h11,15,18,20-23H,4-10,12-14,16-17H2,1-3H3/t18-,20-,21-,22-,23-,24-,25-/m0/s1 > AGGYYWICUTUTCC-NMTVEPIMSA-N > 6.1 > 400.29774513 > C26H40O3 > 400.6 > CC12CCC3C(C1CCC2OC4(CCCCC4)OC)CCC5C3(C=CC(=O)C5)C > C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCCC4)OC)CC[C@@H]5[C@@]3(C=CC(=O)C5)C > 35.5 > 400.29774513 > 0 > 29 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 5 14 42 6 4 30 6 5 17 5 6 31 5 7 32 6 8 18 5 $$$$