70165754 -OEChem-05072407282D 117123 0 1 0 0 0 0 0999 V2000 10.3405 -1.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -0.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8964 1.4961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3930 0.6320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3515 0.6199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8964 1.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8272 1.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3930 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7423 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3515 2.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3930 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4345 0.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8897 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4067 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9657 1.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1962 0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8272 -0.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4483 2.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0738 2.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8897 -0.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7423 -0.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8548 -0.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7265 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9514 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0507 1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7500 2.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0362 -0.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5895 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4757 2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5228 -1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 0.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 2.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9791 2.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2940 3.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4646 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7702 2.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9926 -0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -0.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 -0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5105 3.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8222 2.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7726 1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0312 2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3399 3.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6840 2.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1838 3.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4637 2.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1976 -0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -0.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -0.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3191 -0.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1669 -0.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3905 0.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3375 2.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6212 3.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1155 2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3638 -0.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0457 -0.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6335 1.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9422 2.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 2.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7548 3.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 2.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1942 2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 2.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 1.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7169 -0.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0609 0.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0670 0.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0090 2.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7918 2.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9423 2.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9811 -1.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8245 -1.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0644 -0.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -0.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 2 38 1 0 0 0 0 2 47 1 0 0 0 0 3 38 1 0 0 0 0 3103 1 0 0 0 0 44 4 1 6 0 0 0 49 4 1 1 0 0 0 46 5 1 1 0 0 0 5107 1 0 0 0 0 48 6 1 6 0 0 0 6108 1 0 0 0 0 7 49 1 0 0 0 0 7 53 1 0 0 0 0 8 50 1 0 0 0 0 8111 1 0 0 0 0 9 50 2 0 0 0 0 51 10 1 6 0 0 0 10114 1 0 0 0 0 52 11 1 1 0 0 0 11115 1 0 0 0 0 54 12 1 6 0 0 0 12116 1 0 0 0 0 13 55 1 0 0 0 0 13117 1 0 0 0 0 14 55 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 6 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 56 1 1 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 17 34 1 6 0 0 0 18 23 1 0 0 0 0 18 26 1 0 0 0 0 18 35 1 1 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 1 0 0 0 20 22 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 28 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 32 2 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 24 62 1 6 0 0 0 25 32 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 30 1 0 0 0 0 27 37 1 0 0 0 0 27 43 1 6 0 0 0 28 33 1 0 0 0 0 28 38 1 0 0 0 0 28 67 1 1 0 0 0 29 33 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 41 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 42 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 44 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 42 1 0 0 0 0 41 45 1 1 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 46 1 0 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46 48 1 0 0 0 0 46102 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 1 0 0 0 47104 1 0 0 0 0 48105 1 0 0 0 0 49 51 1 0 0 0 0 49106 1 0 0 0 0 51 52 1 0 0 0 0 51109 1 0 0 0 0 52 54 1 0 0 0 0 52110 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 1 0 0 0 53112 1 0 0 0 0 54113 1 0 0 0 0 M END > 70165754 > 1 > 1610 > 14 > 8 > 5 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PzPgAAAAAAAAACAAAQAACAAAAAAAAAAAA== > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-1-oxo-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,4,6-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-1-oxo-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-2-oxanyl]oxy]-3,4,6-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-1-oxo-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-1-oxo-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-1-oxidanylidene-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R)-6-[(3S,4aS,6aR,6bS,8aR,11R,12aR,14aS,14bS)-1-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-yl]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,4,6-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C41H62O14/c1-18-10-12-37(4)14-15-38(5)19(20(37)16-18)8-9-22-39(38,6)13-11-21-36(2,3)23(17-24(42)40(21,22)7)41(52)32(28(46)27(45)31(55-41)34(50)51)54-35-29(47)25(43)26(44)30(53-35)33(48)49/h8,18,20-23,25-32,35,43-47,52H,9-17H2,1-7H3,(H,48,49)(H,50,51)/t18-,20+,21+,22+,23+,25+,26+,27+,28+,29-,30+,31+,32-,35+,37-,38-,39-,40+,41?/m1/s1 > OJBGFFCNIXGXMW-AXULDPGOSA-N > 4.2 > 778.41395665 > C41H62O14 > 778.9 > CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)C)C6(C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)C(=O)O)O)O)O)O)C)C)C2C1)C)C > C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C(=O)C[C@@H](C5(C)C)C6([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)O)C)C)[C@@H]2C1)C)C > 241 > 778.41395665 > 0 > 55 > 18 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 51 10 6 52 11 5 54 12 6 15 31 6 16 56 5 17 34 6 18 35 5 19 57 5 24 62 6 27 43 6 28 67 5 38 3 3 44 4 6 49 4 5 41 45 5 47 50 5 46 5 5 53 55 5 48 6 6 $$$$