Mrv0541 05061309252D 120132 0 0 0 0 999 V2000 13.2607 5.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0878 1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 6.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 6.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 4.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0866 2.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 4.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 4.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6602 7.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 9.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 5.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 2.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 4.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 9.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9458 8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 2.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5142 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 6.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 3.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 9.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9458 9.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9457 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 -0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 9.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9457 4.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7727 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6589 8.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 9.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 4.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0878 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 6.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3708 3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0878 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0878 6.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 2.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 4.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 4.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7726 2.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 7.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5168 8.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5167 4.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0878 5.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6589 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 4.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 6.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 3.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 3.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 4.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3747 8.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9456 1.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 0.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5167 1.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 3.6880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 10.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8509 2.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 6.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 4.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 9.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 9.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6601 2.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 -0.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 10.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6602 4.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 -1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 3.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 7.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8024 9.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 5.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 -0.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 3.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 4.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 4.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 3.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 2.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 8.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 5.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 3.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 2.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 7.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5167 3.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 2.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 2.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 7.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 3.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 4.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 6.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 5.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 4.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 18 17 1 0 0 0 0 26 1 1 0 0 0 0 27 2 1 0 0 0 0 28 3 1 0 0 0 0 29 11 2 0 0 0 0 30 19 1 0 0 0 0 30 29 1 0 0 0 0 31 24 1 0 0 0 0 32 25 1 0 0 0 0 33 21 1 0 0 0 0 34 22 1 0 0 0 0 35 23 1 0 0 0 0 36 13 1 0 0 0 0 37 12 1 0 0 0 0 38 20 1 0 0 0 0 39 14 1 0 0 0 0 40 26 1 0 0 0 0 41 31 1 0 0 0 0 42 32 1 0 0 0 0 43 33 1 0 0 0 0 44 34 1 0 0 0 0 45 35 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 41 1 0 0 0 0 50 42 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 55 27 1 0 0 0 0 56 40 1 0 0 0 0 57 54 1 0 0 0 0 58 54 1 0 0 0 0 59 55 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 62 59 1 0 0 0 0 63 58 1 0 0 0 0 64 49 1 0 0 0 0 65 50 1 0 0 0 0 66 51 1 0 0 0 0 67 52 1 0 0 0 0 68 53 1 0 0 0 0 69 60 1 0 0 0 0 70 62 1 0 0 0 0 71 61 1 0 0 0 0 73 4 1 0 0 0 0 73 5 1 0 0 0 0 73 17 1 0 0 0 0 73 19 1 0 0 0 0 74 6 1 0 0 0 0 74 7 1 0 0 0 0 74 36 1 0 0 0 0 74 39 1 0 0 0 0 75 8 1 0 0 0 0 75 15 1 0 0 0 0 75 36 1 0 0 0 0 75 37 1 0 0 0 0 76 9 1 0 0 0 0 76 16 1 0 0 0 0 76 37 1 0 0 0 0 77 10 1 0 0 0 0 77 20 1 0 0 0 0 77 29 1 0 0 0 0 77 76 1 0 0 0 0 78 18 1 0 0 0 0 78 30 1 0 0 0 0 78 38 1 0 0 0 0 78 72 1 0 0 0 0 79 21 1 0 0 0 0 80 22 1 0 0 0 0 81 23 1 0 0 0 0 82 28 2 0 0 0 0 83 31 1 0 0 0 0 84 32 1 0 0 0 0 85 38 1 0 0 0 0 86 40 1 0 0 0 0 87 41 1 0 0 0 0 88 42 1 0 0 0 0 89 43 1 0 0 0 0 90 44 1 0 0 0 0 91 45 1 0 0 0 0 92 46 1 0 0 0 0 93 47 1 0 0 0 0 94 48 1 0 0 0 0 95 49 1 0 0 0 0 96 50 1 0 0 0 0 97 51 1 0 0 0 0 98 52 1 0 0 0 0 99 53 1 0 0 0 0 100 54 1 0 0 0 0 101 63 2 0 0 0 0 102 63 1 0 0 0 0 103 72 2 0 0 0 0 104 24 1 0 0 0 0 104 64 1 0 0 0 0 105 25 1 0 0 0 0 105 65 1 0 0 0 0 106 26 1 0 0 0 0 106 69 1 0 0 0 0 107 27 1 0 0 0 0 107 70 1 0 0 0 0 108 28 1 0 0 0 0 108 55 1 0 0 0 0 109 33 1 0 0 0 0 109 66 1 0 0 0 0 110 34 1 0 0 0 0 110 67 1 0 0 0 0 111 35 1 0 0 0 0 111 68 1 0 0 0 0 112 39 1 0 0 0 0 112 71 1 0 0 0 0 113 57 1 0 0 0 0 113 64 1 0 0 0 0 114 56 1 0 0 0 0 114 66 1 0 0 0 0 115 58 1 0 0 0 0 115 71 1 0 0 0 0 116 59 1 0 0 0 0 116 67 1 0 0 0 0 117 60 1 0 0 0 0 117 65 1 0 0 0 0 118 61 1 0 0 0 0 118 68 1 0 0 0 0 119 62 1 0 0 0 0 119 69 1 0 0 0 0 120 70 1 0 0 0 0 120 72 1 0 0 0 0 M END > CHEM022682 > chemdb > CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4O)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O > InChI=1S/C78H124O42/c1-26-40(86)56(114-66-51(97)46(92)43(89)33(21-79)109-66)60(117-65-50(96)42(88)32(84)25-105-65)69(106-26)119-62-59(116-67-52(98)47(93)44(90)34(22-80)110-67)55(108-28(3)82)27(2)107-70(62)120-72(103)78-18-17-73(4,5)19-30(78)29-11-12-37-75(8)15-14-39(74(6,7)36(75)13-16-76(37,9)77(29,10)20-38(78)85)112-71-61(118-68-53(99)48(94)45(91)35(23-81)111-68)57(54(100)58(115-71)63(101)102)113-64-49(95)41(87)31(83)24-104-64/h11,26-27,30-62,64-71,79-81,83-100H,12-25H2,1-10H3,(H,101,102) > VJZCSBCQSQEMOM-UHFFFAOYSA-N > C78H124O42 > 1733.794 > 1732.756718092 > 40 > 174.08930152980204 > 0 > 22 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-[(5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.19 > -5.1840054810000025 > -2.22 > 1 > 13 > -1 > 11.659978176776322 > 3.3619700445078142 > -3.739145095230037 > 653.1800000000004 > 388.47079999999954 > 23 > 0 > 1.03e+01 g/l > 6-{[8a-({[5-(acetyloxy)-3-[(5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > (3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->2)]-rhamnosyl-(1->2)]-4-acetylfucosyl] ester > 325489-44-9 $$$$