Mrv0541 05061308262D 89 97 0 0 0 0 999 V2000 13.7795 3.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2085 2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3507 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4941 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8203 1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8809 1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2145 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9218 -2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4941 3.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2072 -0.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4927 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4927 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3493 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0638 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2072 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 -3.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 1.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0651 -0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4940 2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0652 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4940 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 1.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -4.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7784 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4927 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3493 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3506 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 1.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -4.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 -5.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -4.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0651 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0652 -0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -4.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3506 1.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7782 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0639 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 -1.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9218 -1.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3507 -0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -4.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8157 -4.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 -1.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -2.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2085 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4499 2.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 -1.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 1.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -5.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -6.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 0.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -5.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -0.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0652 2.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 0.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -2.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0651 -1.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -3.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 -2.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 -2.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 -0.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -3.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7795 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 0 0 0 0 13 12 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 25 2 1 0 0 0 0 25 11 2 0 0 0 0 26 3 1 0 0 0 0 27 4 1 0 0 0 0 28 12 2 0 0 0 0 29 18 1 0 0 0 0 29 28 1 0 0 0 0 30 21 1 0 0 0 0 31 22 1 0 0 0 0 32 20 1 0 0 0 0 33 14 1 0 0 0 0 34 13 1 0 0 0 0 35 15 1 0 0 0 0 36 19 1 0 0 0 0 37 30 1 0 0 0 0 38 31 1 0 0 0 0 39 32 1 0 0 0 0 40 39 1 0 0 0 0 41 37 1 0 0 0 0 42 40 1 0 0 0 0 44 43 1 0 0 0 0 45 43 1 0 0 0 0 46 38 1 0 0 0 0 47 44 1 0 0 0 0 49 48 1 0 0 0 0 50 45 1 0 0 0 0 51 25 1 0 0 0 0 52 41 1 0 0 0 0 53 42 1 0 0 0 0 54 46 1 0 0 0 0 55 47 1 0 0 0 0 56 5 1 0 0 0 0 56 6 1 0 0 0 0 56 18 1 0 0 0 0 56 48 1 0 0 0 0 57 7 1 0 0 0 0 57 16 1 0 0 0 0 57 33 1 0 0 0 0 57 34 1 0 0 0 0 58 8 1 0 0 0 0 58 23 1 0 0 0 0 58 33 1 0 0 0 0 58 35 1 0 0 0 0 59 9 1 0 0 0 0 59 17 1 0 0 0 0 59 34 1 0 0 0 0 60 10 1 0 0 0 0 60 19 1 0 0 0 0 60 28 1 0 0 0 0 60 59 1 0 0 0 0 61 24 1 0 0 0 0 61 29 1 0 0 0 0 61 36 1 0 0 0 0 61 49 1 0 0 0 0 62 20 1 0 0 0 0 63 23 2 0 0 0 0 64 24 1 0 0 0 0 65 26 2 0 0 0 0 66 27 2 0 0 0 0 67 30 1 0 0 0 0 68 31 1 0 0 0 0 69 37 1 0 0 0 0 70 38 1 0 0 0 0 71 39 1 0 0 0 0 72 40 1 0 0 0 0 73 41 1 0 0 0 0 74 42 1 0 0 0 0 75 43 1 0 0 0 0 76 50 2 0 0 0 0 77 50 1 0 0 0 0 78 51 2 0 0 0 0 79 21 1 0 0 0 0 79 52 1 0 0 0 0 80 22 1 0 0 0 0 80 54 1 0 0 0 0 81 26 1 0 0 0 0 81 36 1 0 0 0 0 82 27 1 0 0 0 0 82 49 1 0 0 0 0 83 32 1 0 0 0 0 83 53 1 0 0 0 0 84 35 1 0 0 0 0 84 55 1 0 0 0 0 85 44 1 0 0 0 0 85 54 1 0 0 0 0 86 45 1 0 0 0 0 86 55 1 0 0 0 0 87 46 1 0 0 0 0 87 52 1 0 0 0 0 88 47 1 0 0 0 0 88 53 1 0 0 0 0 89 48 1 0 0 0 0 89 51 1 0 0 0 0 M END > CHEM029331 > chemdb > C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C)OC(C)=O > InChI=1S/C61H92O28/c1-11-25(2)51(78)89-48-49(82-27(4)66)61(24-64)29(18-56(48,5)6)28-12-13-34-57(7)16-15-35(58(8,23-63)33(57)14-17-59(34,9)60(28,10)19-36(61)81-26(3)65)84-55-47(88-53-42(74)40(72)39(71)32(20-62)83-53)44(43(75)45(86-55)50(76)77)85-54-46(38(70)31(68)22-80-54)87-52-41(73)37(69)30(67)21-79-52/h11-12,23,29-49,52-55,62,64,67-75H,13-22,24H2,1-10H3,(H,76,77)/b25-11- > XXBBBGNRVPIJLB-GATIEOLUSA-N > C61H92O28 > 1273.3664 > 1272.57751236 > 25 > 132.3068770823932 > 0 > 12 > 0 > 0 > 6-{[8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 1.27 > -0.6323823620000015 > -3.33 > 1 > 9 > -1 > 11.911942612220512 > 3.228676464918274 > -3.672687979278791 > 429.64000000000016 > 298.4406999999998 > 19 > 0 > 6.01e-01 g/l > 6-{[8,9-bis(acetyloxy)-4-formyl-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Assamsaponin B > 259748-07-7 $$$$