Mrv0541 02241209512D 114125 0 0 0 0 999 V2000 1.2222 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -2.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 -1.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -0.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4353 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 -1.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6361 -1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -1.6243 0.0000 C 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9021 2.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8409 4.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 3.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6777 2.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 -2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3073 -1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0241 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5548 -0.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -0.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1185 -1.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0585 -3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -2.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6148 0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7092 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 -2.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 -1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 -1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3514 -1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 -2.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 -2.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 -0.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1405 -2.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1268 -1.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -1.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8664 -2.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1405 -3.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5657 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5657 1.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2794 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9943 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9943 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2794 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4929 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 0.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9228 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4929 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6365 2.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 2.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7794 -0.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7092 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7092 -0.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2794 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2794 2.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 -2.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 25 1 0 0 0 0 18114 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 81 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 44 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 45 1 0 0 0 0 43 67 1 0 0 0 0 44 48 1 0 0 0 0 45 46 2 0 0 0 0 45 47 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 50 51 1 0 0 0 0 50 54 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 0 0 0 0 52 53 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 55 58 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 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 68 72 1 0 0 0 0 69 70 1 0 0 0 0 69 77 1 0 0 0 0 70 71 1 0 0 0 0 70 76 1 0 0 0 0 71 72 1 0 0 0 0 71 75 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 82 83 1 0 0 0 0 82 90 1 0 0 0 0 83 84 1 0 0 0 0 83 87 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 85 86 1 0 0 0 0 85 88 1 0 0 0 0 87 94 1 0 0 0 0 88 91 1 0 0 0 0 88 92 2 0 0 0 0 90 93 1 0 0 0 0 93100 1 0 0 0 0 93101 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96113 1 0 0 0 0 97 98 1 0 0 0 0 97110 1 0 0 0 0 98 99 1 0 0 0 0 98111 1 0 0 0 0 99112 1 0 0 0 0 100104 1 0 0 0 0 100109 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102105 1 0 0 0 0 103104 1 0 0 0 0 103107 1 0 0 0 0 104108 1 0 0 0 0 105106 1 0 0 0 0 M END > CHEM022685 > chemdb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C75H116O39/c1-26-40(82)44(86)49(91)63(101-26)109-56-53(95)57(61(96)97)110-68(59(56)112-65-50(92)45(87)42(84)34(22-76)105-65)107-39-15-16-71(8)36(72(39,9)25-77)14-17-73(10)37(71)13-12-31-32-20-70(6,7)18-19-75(32,38(81)21-74(31,73)11)69(98)114-67-60(113-64-52(94)47(89)54(27(2)102-64)108-62-48(90)41(83)33(80)23-100-62)58(55(28(3)103-67)104-30(5)79)111-66-51(93)46(88)43(85)35(106-66)24-99-29(4)78/h12,25-28,32-60,62-68,76,80-95H,13-24H2,1-11H3,(H,96,97) > YZXHDUJUOVKVIS-UHFFFAOYSA-N > C75H116O39 > 1641.7001 > 1640.70937397 > 36 > 167.30326506454907 > 0 > 18 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.47 > -3.5223930536666708 > -2.76 > 1 > 12 > -1 > 11.659699047881134 > 3.3198883179269565 > -3.7391452276049515 > 597.1700000000002 > 370.4195999999999 > 23 > 0 > 2.86e+00 g/l > 6-{[8a-({[5-(acetyloxy)-4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester > 299184-61-5 $$$$