Mrv0541 02241211202D 66 73 0 0 0 0 999 V2000 -4.1106 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 1.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 2.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 2.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8261 -0.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 -0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -0.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 1.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 3.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 3.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 4.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 4.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3075 3.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 4.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 4.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 5.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 5.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 -2.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 -3.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -3.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 -1.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -2.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 -4.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8008 -4.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -3.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8633 -3.9656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -5.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 -2.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 -3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 -3.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 -2.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -2.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8431 -4.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -4.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5661 -3.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -1.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 21 36 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 36 37 1 0 0 0 0 36 41 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 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 42 47 1 0 0 0 0 45 46 1 0 0 0 0 46 56 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 55 1 0 0 0 0 51 52 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 62 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > CHEM033614 > chemdb > CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O > InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3 > MGROSLQKCJXSBT-UHFFFAOYSA-N > C47H80O19 > 949.1267 > 948.529380378 > 19 > 100.57281133168193 > 0 > 12 > 0 > 0 > 2-{[6-({5,16-dihydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.02 > -1.4377342253333336 > -2.88 > 1 > 8 > 0 > 12.333188434021622 > 11.86176511955331 > -3.5265806826167294 > 307.37 > 228.94330000000008 > 10 > 0 > 1.24e+00 g/l > 2-{[6-({5,16-dihydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Vinaginsenoside R6 > 156009-82-4 $$$$