Mrv0541 02241217182D 84 93 0 0 0 0 999 V2000 2.6194 4.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 3.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 2.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 2.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8526 1.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 4.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 3.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 3.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 3.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 2.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 1.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7105 2.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 2.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 5.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 4.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 5.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 2.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1392 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 1.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 0.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 2.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2745 2.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9964 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7031 2.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 0.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0115 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3172 0.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0390 -0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7472 0.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4677 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1744 0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 -1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7747 -1.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4828 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2047 -1.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7898 -2.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9879 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 1.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 2.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 3.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 2.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 1.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7135 1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6984 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3901 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 -2.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 -2.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 4.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 3.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 2.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1696 3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 -0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 -1.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7912 -2.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 1.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 -2.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 -3.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 -3.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4827 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2047 -3.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -4.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 -4.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -4.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4676 -4.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1758 -4.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -5.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 64 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 71 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 68 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 73 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 71 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 73 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 84 1 0 0 0 0 82 83 1 0 0 0 0 M END > CHEM030606 > chemdb > CC1OC(OC2C(O)C(O)C(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)OC2CO)C(O)C(O)C1O > InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3 > NVSLBOBPSCMMSO-UHFFFAOYSA-N > C59H96O25 > 1205.3785 > 1204.624068622 > 24 > 127.15859217474582 > 0 > 14 > 0 > 0 > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 1.25 > -0.03242236733333617 > -3.34 > 1 > 10 > 0 > 12.082262440804087 > 11.672254160939703 > -3.6765067029821505 > 392.5900000000001 > 286.659 > 13 > 0 > 5.47e-01 g/l > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > Eleutheroside M > 36284-77-2 $$$$