5280453 Wcorina 10100417253D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 74 76 0 1 0 0 0 0 0999 V2000 1.3177 2.3463 0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 5.6875 13.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4666 5.8419 10.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 -0.2627 7.4962 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9581 -0.4583 6.3723 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8528 -0.0558 8.7469 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1991 0.3714 6.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.9348 8.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0064 -1.3888 7.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 0.0681 5.0529 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0636 0.4458 9.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8514 1.0134 7.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9725 -0.8905 8.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -0.4711 10.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.1380 3.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 -0.6910 4.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 1.6112 10.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 0.4994 2.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.2932 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 2.0503 11.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 0.9306 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 3.2298 12.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 3.7197 13.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 0.3652 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3766 0.6177 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 4.1038 11.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 5.1872 12.9138 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2544 5.5872 11.6523 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5928 6.0142 12.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7655 3.6115 11.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -1.5119 6.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -0.9904 9.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 -0.2674 6.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 1.1899 6.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 1.9370 8.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 0.9334 8.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5653 -1.6553 6.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -2.2554 8.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 1.1309 5.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 0.8700 6.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 1.2371 8.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 1.8423 7.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -0.0364 8.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6728 -1.6887 9.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8541 -1.3600 10.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 0.0534 10.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 0.3282 4.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -1.2052 3.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -1.7537 4.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 -0.5441 5.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.3160 3.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 2.2317 10.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.0331 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 1.5666 2.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 0.7595 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -0.7740 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6398 1.4298 11.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 3.1243 13.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0526 3.6345 14.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 0.8193 -1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0986 -0.7146 -0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 0.5881 0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3616 1.0205 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 -0.4621 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.0718 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 5.2629 11.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 6.1431 11.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 7.0709 12.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 5.8540 13.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 2.7727 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 2.5498 11.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 4.2742 11.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 5.2130 14.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 5.5785 9.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 70 1 0 0 0 0 27 2 1 0 0 0 0 2 73 1 0 0 0 0 28 3 1 0 0 0 0 3 74 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 2 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 M END > 5280453 > 1 > 688 > 3 > 3 > 6 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGAAAAAAGgAACAAAD1SggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgIFAIAAQAAQAAFwAAIkAOA4PQPgAAAAAAAAAAAAAAQACAAAQAACAAAAA== > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol > (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol > InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 > GMRQFYUYWCNGIN-NKMMMXOESA-N > 5.1 > 416.329045 > C27H44O3 > 416.63646 > CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C > C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C > 60.7 > 416.329045 > 0 > 30 > 6 > 0 > 2 > 0 > 0 > 1 > 1 > 1 5 255 > 10 16 6 27 2 6 28 3 5 4 12 5 5 31 6 6 32 6 $$$$