5281247 -OEChem-04262405552D 100102 0 1 0 0 0 0 0999 V2000 5.4646 -4.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 5.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0981 3.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.9251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -5.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 -2.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 4.7351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5981 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0981 3.8691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5981 4.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0981 3.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7320 2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7320 5.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0981 3.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5981 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 3.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5981 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 3.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0981 2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -5.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -5.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -3.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -0.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -1.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9081 -2.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -0.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4904 2.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1807 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4081 3.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1807 4.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4904 5.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9781 2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 1.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2181 2.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4221 3.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1951 2.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0420 1.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0420 5.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1951 5.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4221 4.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4081 -1.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 6.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4081 3.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7881 4.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5611 1.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4081 1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6350 2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2881 3.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7881 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4081 1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7881 2.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5611 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4081 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 10 2 1 1 0 0 0 2 60 1 0 0 0 0 21 3 1 6 0 0 0 3 82 1 0 0 0 0 23 4 1 1 0 0 0 4 83 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 1 0 0 0 6 8 1 0 0 0 0 6 11 1 1 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 15 2 0 0 0 0 12 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 65 1 0 0 0 0 19 29 2 0 0 0 0 19 66 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 24 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 30 2 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 31 1 0 0 0 0 29 81 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 38 1 0 0 0 0 34 88 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 39 1 0 0 0 0 37 92 1 0 0 0 0 38 40 2 0 0 0 0 38 93 1 0 0 0 0 39 41 2 0 0 0 0 39 94 1 0 0 0 0 40 42 1 0 0 0 0 40 95 1 0 0 0 0 41 43 1 0 0 0 0 41 96 1 0 0 0 0 42 43 2 0 0 0 0 42 97 1 0 0 0 0 43 44 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 M END > 5281247 > 0 > 1380 > 4 > 3 > 9 > AAADcfB8OAAAAAAAAAAAAAAAEgAAAAAAAAAwYAAABIAAAAAAAAAAGgAACAAADlSggAICAAAABgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAIQACUAAFwAAIsAPA4PQPgAAAAAAAAABCAAYQADAAAAAAAAAAAA== > InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22?,33-,34-,38+,39+,40-/m0/s1 > PGYAYSRVSAJXTE-CLONMANBSA-N > 8.7 > 600.41786026 > C40H56O4 > 600.9 > CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C > C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C > 73.2 > 600.41786026 > 0 > 44 > 5 > 0 > 8 > 0 > 0 > 1 > -1 > 1 5 255 > 10 2 5 21 3 6 23 4 5 5 12 5 6 11 5 $$$$