5281252 -OEChem-05062413272D 97 97 0 1 0 0 0 0 0999 V2000 3.8660 -10.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -9.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -9.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8660 -7.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -9.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -7.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -7.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 8.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 10.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 11.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -9.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -9.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -10.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -9.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -9.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -8.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -7.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -7.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -6.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -8.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -7.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -11.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -4.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -4.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -5.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 8.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9157 8.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6044 8.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0029 8.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8554 9.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 6.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 7.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8783 11.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 11.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6383 11.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8144 9.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 9.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4344 10.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 5.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 5.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 6 1 0 0 0 0 4 44 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 11 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 12 2 0 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 62 1 0 0 0 0 16 17 2 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 1 0 0 0 0 18 20 2 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 24 1 0 0 0 0 20 68 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 25 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 24 73 1 0 0 0 0 25 26 2 0 0 0 0 25 74 1 0 0 0 0 26 30 1 0 0 0 0 26 31 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 32 1 0 0 0 0 28 78 1 0 0 0 0 29 34 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 83 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 33 2 0 0 0 0 32 86 1 0 0 0 0 33 35 1 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 2 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 41 1 0 0 0 0 37 40 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 40 2 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 M END > 5281252 > 1 > 1220 > 1 > 1 > 13 > AAADcfB8IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIEAIAAQAAQAAEwAAIgAOAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol > (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol > InChI=1S/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1 > ABTRFGSPYXCGMR-AXXBKCDFSA-N > 13.2 > 552.433116406 > C40H56O > 552.9 > CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(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=C(\C)/CCC=C(C)C)/C)/C > 20.2 > 552.433116406 > 0 > 41 > 1 > 0 > 10 > 0 > 0 > 1 > -1 > 1 5 255 > 4 1 5 $$$$