6449888 -OEChem-05181310262D 97 99 0 1 0 0 0 0 0999 V2000 5.4646 -5.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 7.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -6.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -4.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -7.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -4.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -4.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5981 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0981 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0981 6.2562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0981 4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0981 4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7320 5.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7320 4.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -7.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -7.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -3.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -3.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -4.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -2.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -1.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -2.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -3.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -1.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -2.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 6.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5155 6.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7881 6.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0730 4.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0730 5.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0420 6.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1951 6.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 5.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 5.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1951 4.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0420 4.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0611 3.3481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9081 3.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 3.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2181 7.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 -0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 -0.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 -0.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -2.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 -0.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5611 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4081 0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6350 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2881 2.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4081 0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7881 1.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 -0.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4081 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 -0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 9 2 1 1 0 0 0 2 59 1 0 0 0 0 22 3 1 6 0 0 0 3 81 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 1 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 14 2 0 0 0 0 11 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 64 1 0 0 0 0 18 19 2 0 0 0 0 18 65 1 0 0 0 0 19 26 1 0 0 0 0 19 66 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 24 1 0 0 0 0 22 69 1 0 0 0 0 23 25 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 32 2 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 33 3 0 0 0 0 32 34 1 0 0 0 0 32 85 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 86 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 36 39 1 0 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 38 40 1 0 0 0 0 38 91 1 0 0 0 0 39 41 2 0 0 0 0 39 92 1 0 0 0 0 40 42 2 0 0 0 0 40 93 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 M END > 6449888 > 1 > 1400 > 3 > 2 > 10 > AAADcfB8MAAAAAAAAAAAAAAAEgAAAAAAAAAwQAAABIAAAAAAAAAAGgAACAAADlSggAICAAAABgDAEiBCAAgAAAAgAAAICAAAAAgIFAIAIQACUAAFwAAIoAPA4PQPgAAAAAAAAABCAAYQADAAAAAAAAAAAA== > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 > OGHZCSINIMWCSB-GHIQLMQGSA-N > 10.1 > 582.407296 > C40H54O3 > 582.85496 > CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C > CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C > 53 > 582.407296 > 0 > 43 > 4 > 0 > 8 > 0 > 0 > 1 > 1 > 1 5 255 > 9 2 5 22 3 6 4 11 5 5 10 5 $$$$