70811679 -OEChem-04262419482D 106111 0 1 0 0 0 0 0999 V2000 7.2490 -3.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3193 5.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7838 1.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2872 0.2289 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7838 -0.6831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2805 1.9609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7423 -0.6951 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7423 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2805 1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8117 2.8608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.6327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2944 3.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7424 2.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3515 -1.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 3.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0153 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7838 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7423 -2.5702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7838 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8272 -2.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8965 2.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8260 4.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4498 3.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9109 4.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7977 4.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3197 4.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3120 3.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8126 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -5.1327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.6327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -4.6327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -3.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6034 -0.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1223 -0.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 1.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 1.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7435 0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7435 -0.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1134 2.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 2.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 -0.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 0.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8350 -1.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 -1.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3565 4.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6682 3.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 2.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 2.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6186 1.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4038 1.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1223 -2.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7909 -1.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4037 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 -0.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7282 -3.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4133 -2.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5494 2.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 2.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 1.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7786 2.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4760 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1328 5.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4938 4.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 5.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3358 4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4898 5.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2596 4.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6255 3.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8590 4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0138 4.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 2.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8465 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6261 3.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 -3.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3519 6.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1185 6.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2733 6.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.2527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 6 0 0 0 1 94 1 0 0 0 0 32 2 1 6 0 0 0 2 41 1 0 0 0 0 3 35 1 0 0 0 0 3 40 1 0 0 0 0 4 40 1 0 0 0 0 4 44 1 0 0 0 0 5 42 1 0 0 0 0 5103 1 0 0 0 0 6 43 1 0 0 0 0 6104 1 0 0 0 0 7 45 1 0 0 0 0 7105 1 0 0 0 0 8 46 1 0 0 0 0 8106 1 0 0 0 0 9 46 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 6 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 12 28 1 6 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 30 1 1 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 26 2 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 18 53 1 0 0 0 0 19 27 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 1 0 0 0 20 24 1 0 0 0 0 20 32 1 0 0 0 0 20 37 1 6 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 29 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 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 33 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 34 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 42 43 1 0 0 0 0 42 99 1 0 0 0 0 43 45 1 0 0 0 0 43100 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44101 1 0 0 0 0 45102 1 0 0 0 0 M END > 70811679 > 1 > 1240 > 9 > 5 > 5 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3-hydroxy-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3-hydroxy-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3-hydroxy-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3-hydroxy-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-3-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > 6-[[(3S,4S,6aR,6bS,8aR,9R,14bR)-3-hydroxy-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C37H60O9/c1-32(2)17-21-20-9-10-23-34(4)13-12-24(38)35(5,19-45-31-28(41)26(39)27(40)29(46-31)30(42)43)22(34)11-14-37(23,7)36(20,6)16-15-33(21,3)25(18-32)44-8/h9,21-29,31,38-41H,10-19H2,1-8H3,(H,42,43)/t21?,22?,23?,24-,25+,26?,27?,28?,29?,31?,33+,34-,35+,36+,37+/m0/s1 > BMKKXTCKKSEAAL-GDNQGWNJSA-N > 5.6 > 648.42373349 > C37H60O9 > 648.9 > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)OC)C)C)C)(C)COC6C(C(C(C(O6)C(=O)O)O)O)O)O)C)C > C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)COC6C(C(C(C(O6)C(=O)O)O)O)O)O)C)C)C1CC(C[C@H]2OC)(C)C)C > 146 > 648.42373349 > 0 > 46 > 7 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 6 10 25 6 11 22 3 12 28 6 13 30 5 14 17 3 18 31 3 19 36 5 32 2 6 20 37 6 40 3 3 44 46 3 42 5 3 43 6 3 45 7 3 $$$$