Mrv0541 05061305542D 65 73 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 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 10.4446 -1.6877 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 12.5451 -2.2811 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 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 11.7215 -2.3290 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 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 11.6385 -0.9025 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 7 6 1 0 0 0 0 8 5 1 0 0 0 0 17 1 1 0 0 0 0 17 5 1 0 0 0 0 17 16 1 0 0 0 0 18 2 1 0 0 0 0 19 9 1 0 0 0 0 20 6 1 0 0 0 0 20 19 1 0 0 0 0 21 10 1 0 0 0 0 21 19 1 0 0 0 0 22 11 1 0 0 0 0 23 9 1 0 0 0 0 23 22 1 0 0 0 0 24 12 1 0 0 0 0 25 11 1 0 0 0 0 25 24 1 0 0 0 0 26 10 1 0 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 15 1 0 0 0 0 30 18 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 7 1 0 0 0 0 43 21 1 0 0 0 0 43 30 1 0 0 0 0 44 4 1 0 0 0 0 44 12 1 0 0 0 0 44 20 1 0 0 0 0 44 22 1 0 0 0 0 45 8 1 0 0 0 0 45 18 1 0 0 0 0 46 13 1 0 0 0 0 47 14 1 0 0 0 0 48 15 1 0 0 0 0 49 23 1 0 0 0 0 50 24 1 0 0 0 0 51 31 1 0 0 0 0 52 32 1 0 0 0 0 53 33 1 0 0 0 0 54 34 1 0 0 0 0 55 35 1 0 0 0 0 56 36 1 0 0 0 0 57 37 1 0 0 0 0 58 16 1 0 0 0 0 58 45 1 0 0 0 0 59 25 1 0 0 0 0 59 40 1 0 0 0 0 60 27 1 0 0 0 0 60 41 1 0 0 0 0 61 28 1 0 0 0 0 61 42 1 0 0 0 0 62 29 1 0 0 0 0 62 40 1 0 0 0 0 63 38 1 0 0 0 0 63 42 1 0 0 0 0 64 39 1 0 0 0 0 64 41 1 0 0 0 0 65 26 1 0 0 0 0 65 45 1 0 0 0 0 M END > CHEM025247 > chemdb > CC1C2C(CC3C4CC(O)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/C45H74O20/c1-17-5-8-45(58-16-17)18(2)30-26(65-45)10-21-19-9-23(49)22-11-25(24(50)12-44(22,4)20(19)6-7-43(21,30)3)59-40-36(56)34(54)38(29(15-48)62-40)63-42-37(57)39(32(52)28(14-47)61-42)64-41-35(55)33(53)31(51)27(13-46)60-41/h17-42,46-57H,5-16H2,1-4H3 > OBNCZXYHSIJOME-UHFFFAOYSA-N > C45H74O20 > 935.0571 > 934.477344808 > 20 > 99.15369802227025 > 0 > 12 > 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]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -1.34 > -2.3632904056666626 > -2.68 > 1 > 9 > 0 > 12.217641534247726 > 11.774665790543558 > -3.159348162842445 > 316.6000000000001 > 219.6098000000001 > 9 > 0 > 1.95e+00 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]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Ampeloside Bs1 > 118524-12-2 $$$$