5281235 -OEChem-05052411122D 97 98 0 1 0 0 0 0 0999 V2000 3.8660 -9.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -8.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8660 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -8.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 9.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -6.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0263 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.9050 0.0000 C 0 0 0 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0 0 0 0 0 0 0 0 2.3894 -7.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -8.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -8.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 9.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 9.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -8.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -7.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0588 10.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 10.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -5.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -5.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -6.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 9.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 9.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 7.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1463 8.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 7.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 7.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 7.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -7.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -6.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 8.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 7.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 7.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -9.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -3.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -4.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 4.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 5.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 2.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 73 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 44 1 0 0 0 0 6 9 2 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 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 15 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 21 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 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 22 2 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 23 2 0 0 0 0 20 69 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 30 1 0 0 0 0 27 79 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 31 1 0 0 0 0 29 83 1 0 0 0 0 30 32 2 0 0 0 0 30 84 1 0 0 0 0 31 33 2 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 1 0 0 0 0 33 87 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 88 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 40 1 0 0 0 0 37 91 1 0 0 0 0 38 41 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 41 2 0 0 0 0 40 96 1 0 0 0 0 41 97 1 0 0 0 0 M END > 5281235 > 1 > 1250 > 1 > 1 > 10 > AAADcfB8IAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAACAAADhSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIEAIAAQAAQAAEwAAIgAOAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol > (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol > InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 > DMASLKHVQRHNES-FKKUPVFPSA-N > 12.3 > 552.433116406 > C40H56O > 552.9 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C > 20.2 > 552.433116406 > 0 > 41 > 1 > 0 > 9 > 0 > 0 > 1 > -1 > 1 5 255 > 5 1 5 $$$$