137254326 -OEChem-08192221172D 109110 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 11.6603 9.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 9.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.3450 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 4.7320 -8.3450 0.0000 C 0 0 0 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 3.0000 -9.3450 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 3.8660 -9.8450 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 5.7320 -8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -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 4.7320 -6.3450 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 10.7942 7.1550 0.0000 C 0 0 1 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 11.6603 8.6550 0.0000 C 0 0 2 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 10.7942 8.1550 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 13.5263 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0263 6.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.2890 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 5.5981 -4.8450 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 10.7942 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 10.1550 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 10.7942 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 11.1550 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 6.4641 -3.3450 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 6.4641 -2.3450 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 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 9.0622 2.1550 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 7.3301 -0.8450 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 8.1962 -0.3450 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 4.4030 -7.5350 0.0000 H 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 4.9441 -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 4.4030 -10.1550 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 5.7320 -8.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -8.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -7.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -6.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 -7.1690 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 3.3291 -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 13.1369 8.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 8.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 8.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 8.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 8.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 6.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1463 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5263 7.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 5.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3363 5.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 6.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 6.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9842 5.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 5.9790 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 9.4842 7.6919 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 3.3291 -5.1550 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 13.1463 11.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 11.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9063 11.1550 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 7.0010 -3.6550 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 10.4651 2.3450 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 8.5252 2.4650 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 7.6592 0.9650 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 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 1 12 1 0 0 0 0 1 69 1 0 0 0 0 22 2 1 6 0 0 0 2 33 1 0 0 0 0 20 3 1 6 0 0 0 3 86 1 0 0 0 0 4 31 2 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 55 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 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 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 18 2 0 0 0 0 17 68 1 0 0 0 0 18 25 1 0 0 0 0 18 70 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 22 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 73 1 0 0 0 0 23 29 2 3 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 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 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 28 84 1 0 0 0 0 29 32 1 0 0 0 0 29 85 1 0 0 0 0 30 34 1 0 0 0 0 30 87 1 0 0 0 0 31 88 1 0 0 0 0 32 35 2 3 0 0 0 32 89 1 0 0 0 0 33 36 1 0 0 0 0 34 38 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 38 40 2 3 0 0 0 38 96 1 0 0 0 0 39 41 2 3 0 0 0 39 97 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 41 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 43 46 2 3 0 0 0 43102 1 0 0 0 0 44 45 2 3 0 0 0 44103 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 46 48 1 0 0 0 0 46104 1 0 0 0 0 47 48 2 3 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 M END > 137254326 > 1 > 1480 > 6 > 2 > 13 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAAAAAAAGgAACAAAD1SggAICCAAABgCIAqjSiAAAAAAgAAAICAEAAEgIFAIAAQACUAAFgAAIkYOA4NwPgAAAAAAAAABAAAYQACAAAAAAAAAAAA== > [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethyl-cyclohexyl)-3,7,12-trimethyl-14-oxo-octadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] acetate > acetic acid [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] ester > [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate > [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethylcyclohexyl)-3,7,12-trimethyl-14-oxooctadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate > [(1R,5R)-4-[(15Z,17E)-16-methanoyl-3,7,12-trimethyl-14-oxidanylidene-18-(2,2,6,6-tetramethyl-4-oxidanyl-cyclohexyl)octadeca-2,4,6,8,10,12,15,17-octaenylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl] ethanoate > acetic acid [(1R,3R)-4-[(15Z,17E)-16-formyl-18-(4-hydroxy-2,2,6,6-tetramethyl-cyclohexyl)-14-keto-3,7,12-trimethyl-octadeca-2,4,6,8,10,12,15,17-octaenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] ester > InChI=1S/C43H60O6/c1-30(17-14-18-31(2)19-21-39-42(9,10)27-37(49-33(4)45)28-43(39,11)48)15-12-13-16-32(3)23-35(46)24-34(29-44)20-22-38-40(5,6)25-36(47)26-41(38,7)8/h12-24,29,36-38,47-48H,25-28H2,1-11H3/b15-12?,16-13?,18-14?,22-20+,30-17?,31-19?,32-23?,34-24-,39-21?/t36?,37-,38?,43-/m1/s1 > XZAPEHKCHWMSPW-MTALQEDYSA-N > 9.3 > 672.43898963 > C43H60O6 > 672.9 > CC(=CC=CC(=CC=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C)C=CC=CC(=CC(=O)C=C(C=CC2C(CC(CC2(C)C)O)(C)C)C=O)C > CC(=CC=CC(=CC=C1[C@](C[C@@H](CC1(C)C)OC(=O)C)(C)O)C)C=CC=CC(=CC(=O)/C=C(/C=C/C2C(CC(CC2(C)C)O)(C)C)\C=O)C > 101 > 672.43898963 > 0 > 49 > 2 > 0 > 2 > 7 > 0 > 1 > -1 > 1 5 255 > 22 2 6 23 29 1 20 3 6 32 35 1 38 40 1 39 41 1 43 46 1 44 45 1 47 48 1 $$$$