Mrv0541 05061310472D 64 72 0 0 0 0 999 V2000 4.3030 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 -3.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1892 -6.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2476 -7.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -5.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -3.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5276 -3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6282 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8189 -7.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0712 -7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3584 -5.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2722 -8.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5245 -7.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9019 -9.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 -4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0783 -9.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0990 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -7.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 -4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3481 -7.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2754 -3.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6250 -8.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2651 -6.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -3.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -3.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0128 -6.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -6.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1645 -5.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -4.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0958 -8.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1542 -8.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3553 -9.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 -4.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7081 -9.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 -7.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9953 -7.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4415 -6.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9051 -4.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8014 -8.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 -2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 18 1 1 0 0 0 0 18 7 1 0 0 0 0 18 17 1 0 0 0 0 19 2 1 0 0 0 0 20 5 2 0 0 0 0 20 11 1 0 0 0 0 21 6 1 0 0 0 0 22 8 1 0 0 0 0 22 21 1 0 0 0 0 23 12 1 0 0 0 0 23 21 1 0 0 0 0 24 13 1 0 0 0 0 25 11 1 0 0 0 0 25 24 1 0 0 0 0 26 12 1 0 0 0 0 27 14 1 0 0 0 0 28 15 1 0 0 0 0 29 16 1 0 0 0 0 30 19 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 38 29 1 0 0 0 0 38 34 1 0 0 0 0 39 32 1 0 0 0 0 39 37 1 0 0 0 0 40 36 1 0 0 0 0 41 35 1 0 0 0 0 42 37 1 0 0 0 0 43 3 1 0 0 0 0 43 9 1 0 0 0 0 43 23 1 0 0 0 0 43 30 1 0 0 0 0 44 4 1 0 0 0 0 44 13 1 0 0 0 0 44 20 1 0 0 0 0 44 22 1 0 0 0 0 45 10 1 0 0 0 0 45 19 1 0 0 0 0 46 14 1 0 0 0 0 47 15 1 0 0 0 0 48 16 1 0 0 0 0 49 24 1 0 0 0 0 50 31 1 0 0 0 0 51 32 1 0 0 0 0 52 33 1 0 0 0 0 53 34 1 0 0 0 0 54 35 1 0 0 0 0 55 36 1 0 0 0 0 56 37 1 0 0 0 0 57 17 1 0 0 0 0 57 45 1 0 0 0 0 58 25 1 0 0 0 0 58 40 1 0 0 0 0 59 27 1 0 0 0 0 59 41 1 0 0 0 0 60 28 1 0 0 0 0 60 42 1 0 0 0 0 61 29 1 0 0 0 0 61 40 1 0 0 0 0 62 38 1 0 0 0 0 62 42 1 0 0 0 0 63 39 1 0 0 0 0 63 41 1 0 0 0 0 64 26 1 0 0 0 0 64 45 1 0 0 0 0 M END > CHEM032345 > chemdb > CC1C2C(CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 > InChI=1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-36(55)34(53)38(29(16-48)61-40)62-42-37(56)39(32(51)28(15-47)60-42)63-41-35(54)33(52)31(50)27(14-46)59-41/h5,18-19,21-42,46-56H,6-17H2,1-4H3 > DNDKMGVAVSZIHV-UHFFFAOYSA-N > C45H72O19 > 917.0418 > 916.466780122 > 19 > 98.08428592850052 > 0 > 11 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.45 > -1.46010509 > -2.97 > 1 > 9 > 0 > 12.217489630233965 > 11.77457694048389 > -3.1683158982786983 > 296.37 > 218.86730000000006 > 9 > 0 > 9.79e-01 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-15'-oloxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Fistuloside C > 142293-74-1 $$$$