Mrv0541 05061306062D 72 80 0 0 0 0 999 V2000 -1.9294 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 -4.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -3.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -4.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -3.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1388 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6788 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3188 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 -4.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -2.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 -5.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 -7.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -4.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9248 -2.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8371 -3.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 -2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 -3.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7015 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1614 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 -8.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7047 -5.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3732 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 -4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9196 -8.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3734 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 -3.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 -7.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5534 -6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7826 -2.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 -7.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0659 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0648 -5.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7788 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -3.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -3.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -5.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7683 -9.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5247 -5.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 -9.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8621 -6.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2023 -4.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2116 -2.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9074 -4.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 -7.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 -6.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 -2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 -3.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -2.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9422 -7.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3961 -4.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0935 -6.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0612 -4.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4474 -4.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2448 -5.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -2.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 19 1 1 0 0 0 0 19 5 1 0 0 0 0 19 15 1 0 0 0 0 20 2 1 0 0 0 0 21 6 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 7 1 0 0 0 0 23 22 1 0 0 0 0 24 13 1 0 0 0 0 24 22 1 0 0 0 0 25 11 1 0 0 0 0 26 12 1 0 0 0 0 26 25 1 0 0 0 0 27 16 1 0 0 0 0 28 17 1 0 0 0 0 29 13 1 0 0 0 0 30 14 1 0 0 0 0 31 18 1 0 0 0 0 32 20 1 0 0 0 0 32 29 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 30 1 0 0 0 0 36 35 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 31 1 0 0 0 0 42 37 1 0 0 0 0 43 38 1 0 0 0 0 44 40 1 0 0 0 0 45 39 1 0 0 0 0 46 41 1 0 0 0 0 47 3 1 0 0 0 0 47 8 1 0 0 0 0 47 23 1 0 0 0 0 47 25 1 0 0 0 0 48 4 1 0 0 0 0 48 9 1 0 0 0 0 48 24 1 0 0 0 0 48 32 1 0 0 0 0 49 10 1 0 0 0 0 49 20 1 0 0 0 0 50 14 1 0 0 0 0 51 26 2 0 0 0 0 52 27 1 0 0 0 0 53 28 1 0 0 0 0 54 33 1 0 0 0 0 55 34 1 0 0 0 0 56 35 1 0 0 0 0 57 36 1 0 0 0 0 58 37 1 0 0 0 0 59 38 1 0 0 0 0 60 39 1 0 0 0 0 61 40 1 0 0 0 0 62 41 1 0 0 0 0 63 49 1 0 0 0 0 64 15 1 0 0 0 0 64 44 1 0 0 0 0 65 16 1 0 0 0 0 65 43 1 0 0 0 0 66 17 1 0 0 0 0 66 45 1 0 0 0 0 67 18 1 0 0 0 0 67 43 1 0 0 0 0 68 21 1 0 0 0 0 68 46 1 0 0 0 0 69 30 1 0 0 0 0 69 44 1 0 0 0 0 70 31 1 0 0 0 0 70 46 1 0 0 0 0 71 42 1 0 0 0 0 71 45 1 0 0 0 0 72 29 1 0 0 0 0 72 49 1 0 0 0 0 M END > CHEM026636 > chemdb > CC(CCC1(O)OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C49H80O23/c1-19(15-64-44-40(61)36(57)35(56)30(14-50)69-44)5-10-49(63)20(2)32-29(72-49)13-24-22-12-26(51)25-11-21(6-8-47(25,3)23(22)7-9-48(24,32)4)68-46-41(62)37(58)42(71-45-39(60)34(55)28(53)17-66-45)31(70-46)18-67-43-38(59)33(54)27(52)16-65-43/h19-25,27-46,50,52-63H,5-18H2,1-4H3 > JLPOKVNPMNEDMF-UHFFFAOYSA-N > C49H80O23 > 1037.1457 > 1036.509038866 > 23 > 109.1147046008909 > 0 > 13 > 0 > 0 > 16-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-one > -1.48 > -2.5747418789999976 > -2.95 > 1 > 9 > 0 > 11.89412818966422 > 11.464063129271008 > -3.6726867617827805 > 363.13000000000017 > 241.3215000000001 > 14 > 0 > 1.16e+00 g/l > 16-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-one > 0 > Chinenoside I > 123941-66-2 $$$$