448438 -OEChem-05122405082D 100103 0 1 0 0 0 0 0999 V2000 18.0976 5.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -4.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5981 4.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5981 4.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0981 5.3901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -5.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0981 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5981 4.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -5.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5981 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5982 2.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9244 2.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 3.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -3.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5981 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6807 5.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9904 6.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9904 3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6807 3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9081 5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 5.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9081 6.7931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0611 6.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -6.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -6.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0613 2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9082 2.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1351 3.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3138 2.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8168 2.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5350 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9081 5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7881 4.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -3.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5611 1.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4081 1.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6350 2.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2881 3.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -2.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4081 1.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -1.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7881 2.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -2.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 -0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4081 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 -0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 1.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 0.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 15 3 1 1 0 0 0 3 75 1 0 0 0 0 16 4 1 1 0 0 0 4 76 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 1 0 0 0 7 11 1 0 0 0 0 7 17 1 1 0 0 0 8 12 1 0 0 0 0 8 18 1 1 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 16 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 25 2 0 0 0 0 19 61 1 0 0 0 0 20 26 2 0 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 23 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 27 1 0 0 0 0 25 77 1 0 0 0 0 26 28 1 0 0 0 0 26 78 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 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 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 86 1 0 0 0 0 33 35 2 0 0 0 0 33 87 1 0 0 0 0 34 36 2 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 89 1 0 0 0 0 36 38 1 0 0 0 0 36 90 1 0 0 0 0 37 39 1 0 0 0 0 37 41 2 0 0 0 0 38 40 1 0 0 0 0 38 42 2 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 41 43 1 0 0 0 0 41 97 1 0 0 0 0 42 44 1 0 0 0 0 42 98 1 0 0 0 0 43 44 2 0 0 0 0 43 99 1 0 0 0 0 44100 1 0 0 0 0 M END > 448438 > 1 > 1270 > 4 > 2 > 10 > AAADcfB8OAAAAAAAAAAAAAAAEiQAAAAAAAAwYAAABIkAAAAAAAAAGgAACAAADlSggAICAAAABgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAIQACUAAFwAAIoAPA4PQPgAAAAAAAAABCAAYQADAAAAAAAAAAAA== > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-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,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol > (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1 > SZCBXWMUOPQSOX-WVJDLNGLSA-N > 9.8 > 600.41786026 > C40H56O4 > 600.9 > CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C > C/C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)\C > 65.5 > 600.41786026 > 0 > 44 > 6 > 0 > 9 > 0 > 0 > 1 > -1 > 1 5 255 > 15 3 5 16 4 5 5 19 5 6 20 5 7 17 5 8 18 5 $$$$