5281238 -OEChem-05052411272D 99101 0 1 0 0 0 0 0999 V2000 6.0812 -4.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6648 3.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0812 -2.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -3.6471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1648 4.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6648 3.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1648 4.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -4.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6648 3.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1648 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1648 5.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2988 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1648 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6648 3.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6648 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1648 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1648 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6648 3.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6648 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1648 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1648 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1648 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6648 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6648 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 -2.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9466 -4.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -1.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -2.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3548 2.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7474 4.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0572 4.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4748 -5.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7018 -4.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8548 -2.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9748 2.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7848 5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1648 5.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5448 5.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6088 5.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7619 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9888 4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4748 1.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3548 3.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1279 1.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3548 1.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2018 1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 -3.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9748 3.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4748 1.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3548 -1.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2018 3.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3548 3.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1279 2.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9748 1.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -3.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -3.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7018 -2.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8548 -0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3548 2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4748 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4748 0.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3548 0.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 -0.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2018 1.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3548 2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1279 1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 9 2 1 1 0 0 0 2 60 1 0 0 0 0 21 3 1 1 0 0 0 3 81 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 1 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 10 2 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 11 1 0 0 0 0 10 49 1 0 0 0 0 11 15 1 6 0 0 0 11 50 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 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 17 26 1 6 0 0 0 17 61 1 0 0 0 0 18 21 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 28 1 0 0 0 0 20 67 1 0 0 0 0 21 25 1 0 0 0 0 21 68 1 0 0 0 0 22 25 2 0 0 0 0 22 27 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 75 1 0 0 0 0 26 29 2 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 30 2 0 0 0 0 28 80 1 0 0 0 0 29 31 1 0 0 0 0 29 82 1 0 0 0 0 30 32 1 0 0 0 0 30 83 1 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 36 2 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 37 1 0 0 0 0 34 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 38 1 0 0 0 0 36 91 1 0 0 0 0 37 39 2 0 0 0 0 37 92 1 0 0 0 0 38 41 2 0 0 0 0 38 93 1 0 0 0 0 39 40 1 0 0 0 0 39 94 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 M END > 5281238 > 1 > 1320 > 3 > 2 > 9 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAQAAAAAwQAAAAAAAAEAAAAAAGgAACAAAD1SggAICAAAABgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAIQACUAAFgAAIsAOA4FwPgAAAAAAAAAAAAAYQAAAAAAAAAAAAAA== > (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-1,5,10,14-tetramethyl-hexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol > (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol > (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol > (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol > (2R,6S,7aR)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-[(1R,4R)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran-6-ol > (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-1,5,10,14-tetramethyl-hexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol > InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1 > JRHJXXLCNATYLS-NGZWBNMCSA-N > 10.1 > 584.42294564 > C40H56O3 > 584.9 > CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O > CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@H]2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C)(C)C)O > 49.7 > 584.42294564 > 0 > 43 > 5 > 0 > 8 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 6 17 26 6 9 2 5 21 3 5 4 12 5 $$$$