Mrv0541 05061309102D 93102 0 0 0 0 999 V2000 -1.9942 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8663 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0096 5.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3965 4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7324 1.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8675 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8675 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4386 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7228 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7241 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7228 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 3.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 -1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2798 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 4.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4386 0.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8662 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0096 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 -2.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -2.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -2.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 3.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -1.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -1.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8662 3.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 -0.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7228 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4373 1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8663 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 -1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4012 1.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 5.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0097 3.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -2.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 -0.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 -3.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -3.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -2.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 1.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 2.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 2.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 0.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 3.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -0.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 2.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -1.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 -1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 29 1 1 0 0 0 0 30 2 1 0 0 0 0 31 3 1 0 0 0 0 32 14 2 0 0 0 0 32 15 1 0 0 0 0 32 16 1 0 0 0 0 33 17 2 0 0 0 0 34 24 1 0 0 0 0 34 33 1 0 0 0 0 35 27 1 0 0 0 0 36 26 1 0 0 0 0 37 20 1 0 0 0 0 38 18 1 0 0 0 0 39 21 1 0 0 0 0 40 25 1 0 0 0 0 41 19 1 0 0 0 0 42 29 1 0 0 0 0 43 35 1 0 0 0 0 44 36 1 0 0 0 0 45 42 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 50 49 1 0 0 0 0 51 49 1 0 0 0 0 52 43 1 0 0 0 0 53 50 1 0 0 0 0 55 54 1 0 0 0 0 56 51 1 0 0 0 0 57 47 1 0 0 0 0 58 48 1 0 0 0 0 59 52 1 0 0 0 0 60 53 1 0 0 0 0 61 4 1 0 0 0 0 61 5 1 0 0 0 0 61 24 1 0 0 0 0 61 54 1 0 0 0 0 62 6 1 0 0 0 0 62 7 1 0 0 0 0 62 37 1 0 0 0 0 62 39 1 0 0 0 0 63 8 1 0 0 0 0 63 22 1 0 0 0 0 63 37 1 0 0 0 0 63 38 1 0 0 0 0 64 9 1 0 0 0 0 64 23 1 0 0 0 0 64 38 1 0 0 0 0 65 10 1 0 0 0 0 65 25 1 0 0 0 0 65 33 1 0 0 0 0 65 64 1 0 0 0 0 66 28 1 0 0 0 0 66 34 1 0 0 0 0 66 40 1 0 0 0 0 66 55 1 0 0 0 0 67 26 1 0 0 0 0 68 28 1 0 0 0 0 69 30 2 0 0 0 0 70 31 2 0 0 0 0 71 35 1 0 0 0 0 72 41 2 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 44 1 0 0 0 0 76 45 1 0 0 0 0 77 46 1 0 0 0 0 78 47 1 0 0 0 0 79 48 1 0 0 0 0 80 49 1 0 0 0 0 81 56 2 0 0 0 0 82 56 1 0 0 0 0 83 27 1 0 0 0 0 83 59 1 0 0 0 0 84 29 1 0 0 0 0 84 57 1 0 0 0 0 85 30 1 0 0 0 0 85 40 1 0 0 0 0 86 31 1 0 0 0 0 86 54 1 0 0 0 0 87 36 1 0 0 0 0 87 58 1 0 0 0 0 88 39 1 0 0 0 0 88 60 1 0 0 0 0 89 41 1 0 0 0 0 89 55 1 0 0 0 0 90 50 1 0 0 0 0 90 59 1 0 0 0 0 91 51 1 0 0 0 0 91 60 1 0 0 0 0 92 52 1 0 0 0 0 92 57 1 0 0 0 0 93 53 1 0 0 0 0 93 58 1 0 0 0 0 M END > CHEM030202 > chemdb > CC1OC(OC2C(O)C(O)COC2OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(OC(C)=O)C(OC(=O)\C=C\C7=CC=CC=C7)C6(CO)C(CC54C)OC(C)=O)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C66H96O27/c1-29-42(73)45(76)47(78)57(84-29)92-52-43(74)35(71)27-83-59(52)90-50-49(80)51(56(81)82)91-60(53(50)93-58-48(79)46(77)44(75)36(26-67)87-58)88-39-21-22-63(8)37(62(39,6)7)20-23-64(9)38(63)18-17-33-34-24-61(4,5)54(86-31(3)70)55(89-41(72)19-16-32-14-12-11-13-15-32)66(34,28-68)40(85-30(2)69)25-65(33,64)10/h11-17,19,29,34-40,42-55,57-60,67-68,71,73-80H,18,20-28H2,1-10H3,(H,81,82)/b19-16+ > WMDYPPZNMOEMLX-KNTRCKAVSA-N > C66H96O27 > 1321.4522 > 1320.613897866 > 24 > 138.51537244765098 > 0 > 12 > 0 > 0 > 6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-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-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 2.27 > 1.572069799333332 > -4.06 > 1 > 10 > -1 > 11.910844850544594 > 3.302064331219234 > -3.6765067029822633 > 412.57000000000016 > 317.80559999999974 > 19 > 0 > 1.15e-01 g/l > 6-{[8,10-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-3-phenylprop-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-trihydroxy-6-methyloxan-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 J > 316157-19-4 $$$$