71496248 -OEChem-05142405542D 118123 0 1 0 0 0 0 0999 V2000 4.8245 8.8701 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 8.0118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8513 7.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0601 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.5601 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 2.1402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3550 0.5953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 1.6368 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2273 3.1402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2551 0.0710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1431 1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2677 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 4.6782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2353 5.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1354 3.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 4.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4992 2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 2.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3926 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2128 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 3.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3854 5.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2395 6.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 6.2800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2676 -1.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 -1.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 6.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 6.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 7.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -4.5601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -3.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -4.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -5.5601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -7.0601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -7.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -7.5601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -7.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9028 1.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7552 1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 2.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 0.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8097 4.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 3.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7466 3.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2028 0.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -0.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7498 4.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -1.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 1.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8255 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 2.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -0.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 -1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 1.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 1.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 0.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 2.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 2.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3181 3.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 5.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 4.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 6.1860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 6.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2724 -1.6262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 -1.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 -0.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 -2.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0884 -2.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3088 -1.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 7.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 7.3047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4117 5.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6288 6.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 6.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 6.8845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 6.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 5.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -7.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 2 1 1 0 0 0 48 2 1 6 0 0 0 3 33 2 0 0 0 0 4 48 1 0 0 0 0 4 51 1 0 0 0 0 5 47 1 0 0 0 0 6 47 2 0 0 0 0 49 7 1 6 0 0 0 53 7 1 1 0 0 0 50 8 1 1 0 0 0 8110 1 0 0 0 0 52 9 1 6 0 0 0 9111 1 0 0 0 0 10 53 1 0 0 0 0 10 57 1 0 0 0 0 11 54 1 0 0 0 0 12 54 2 0 0 0 0 55 13 1 6 0 0 0 13116 1 0 0 0 0 56 14 1 1 0 0 0 14117 1 0 0 0 0 58 15 1 6 0 0 0 15118 1 0 0 0 0 16 59 1 0 0 0 0 17 59 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 1 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 30 1 0 0 0 0 19 36 1 1 0 0 0 20 33 1 0 0 0 0 20 60 1 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 21 37 1 6 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 61 1 0 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 32 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 38 2 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 66 1 0 0 0 0 28 31 1 0 0 0 0 28 40 1 0 0 0 0 28 45 1 1 0 0 0 29 31 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 35 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 35 1 0 0 0 0 32 73 1 0 0 0 0 33 38 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 41 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 44 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 6 0 0 0 41 47 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 50 1 0 0 0 0 49105 1 0 0 0 0 50 52 1 0 0 0 0 50106 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 1 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 53 55 1 0 0 0 0 53109 1 0 0 0 0 55 56 1 0 0 0 0 55112 1 0 0 0 0 56 58 1 0 0 0 0 56113 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 1 0 0 0 57114 1 0 0 0 0 58115 1 0 0 0 0 M CHG 4 1 3 5 -1 11 -1 16 -1 M END > 71496248 > 1 > 1710 > 16 > 5 > 4 > AAADcfB8PgAAABAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > aluminum;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > aluminum;(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate > aluminum;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > aluminum;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > aluminum;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate > aluminum;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > InChI=1S/C42H62O16.Al/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);/q;+3/p-3/t19?,21?,22-,23-,24-,25-,26-,27+,28-,29-,30+,31?,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > LQWRKUUNIYSHFL-AKDBGFIKSA-K > 846.3618492 > C42H59AlO16 > 846.9 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)[O-])C)C)C)C.[Al+3] > C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)[O-].[Al+3] > 276 > 846.3618492 > 0 > 59 > 16 > 3 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 55 13 6 56 14 5 58 15 6 18 34 5 19 36 5 32 2 5 48 2 6 20 33 3 21 37 6 22 25 3 27 39 3 28 45 5 41 46 6 51 54 5 57 59 5 49 7 6 53 7 5 50 8 5 52 9 6 $$$$