49800048 -OEChem-04182407222D 67 71 0 1 0 0 0 0 0999 V2000 8.7010 1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.9509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -1.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0084 0.3538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8184 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6285 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4385 2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -1.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -3.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 -3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 2.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 2.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 49 1 0 0 0 0 2 25 2 0 0 0 0 3 29 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 6 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 33 1 6 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 1 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 19 26 3 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 24 56 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 49800048 > 1 > 921 > 3 > 1 > 3 > AAADcfB6MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIEAAAAAAGCBAAAAHgAACAAAD0yBmAQywIMAAgDIEqRSQAiCAAAhAgAIiAEIZMgIIDLAkZGEYAhkgABIyQeYyPCPiAAAAAAAAACQAAQAACAAAYAADAAAAA== > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28+,29-/m0/s1 > VKHAHZOOUSRJNA-NVVJBRLPSA-N > 3.8 > 429.266779359 > C29H35NO2 > 429.6 > CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O > CC#C[C@@]1(CC[C@@H]2[C@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O > 40.5 > 429.266779359 > 0 > 32 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 5 11 17 5 17 23 8 17 24 8 23 27 8 24 28 8 27 29 8 28 29 8 4 14 6 5 33 6 6 34 5 $$$$