Mrv0541 05061311072D 87 96 0 0 0 0 999 V2000 7.5813 3.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 3.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 -1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6826 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3971 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3971 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 -3.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3971 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 -3.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 -0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -3.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 -3.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 -2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -2.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 1.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6827 0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 -4.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5393 2.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 4.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 3.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -4.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8248 3.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3984 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 -3.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 4.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3984 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 1.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 -2.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 2.4593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 0.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 -1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -0.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 2.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9695 -2.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5405 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 23 8 2 0 0 0 0 24 18 1 0 0 0 0 24 23 1 0 0 0 0 25 21 1 0 0 0 0 26 19 1 0 0 0 0 27 20 1 0 0 0 0 28 22 1 0 0 0 0 29 10 1 0 0 0 0 30 9 1 0 0 0 0 31 11 1 0 0 0 0 32 25 1 0 0 0 0 33 26 1 0 0 0 0 34 27 1 0 0 0 0 35 28 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 32 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 40 1 0 0 0 0 49 39 1 0 0 0 0 50 41 1 0 0 0 0 51 42 1 0 0 0 0 52 43 1 0 0 0 0 54 1 1 0 0 0 0 54 2 1 0 0 0 0 54 14 1 0 0 0 0 54 18 1 0 0 0 0 55 3 1 0 0 0 0 55 4 1 0 0 0 0 55 29 1 0 0 0 0 55 31 1 0 0 0 0 56 5 1 0 0 0 0 56 12 1 0 0 0 0 56 29 1 0 0 0 0 56 30 1 0 0 0 0 57 6 1 0 0 0 0 57 15 1 0 0 0 0 57 23 1 0 0 0 0 58 7 1 0 0 0 0 58 13 1 0 0 0 0 58 30 1 0 0 0 0 58 57 1 0 0 0 0 59 16 1 0 0 0 0 59 17 1 0 0 0 0 59 24 1 0 0 0 0 59 53 1 0 0 0 0 60 19 1 0 0 0 0 61 20 1 0 0 0 0 62 25 1 0 0 0 0 63 32 1 0 0 0 0 64 33 1 0 0 0 0 65 34 1 0 0 0 0 66 35 1 0 0 0 0 67 36 1 0 0 0 0 68 37 1 0 0 0 0 69 38 1 0 0 0 0 70 39 1 0 0 0 0 71 40 1 0 0 0 0 72 41 1 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 47 2 0 0 0 0 76 47 1 0 0 0 0 77 53 2 0 0 0 0 78 21 1 0 0 0 0 78 49 1 0 0 0 0 79 22 1 0 0 0 0 79 48 1 0 0 0 0 80 26 1 0 0 0 0 80 48 1 0 0 0 0 81 27 1 0 0 0 0 81 50 1 0 0 0 0 82 28 1 0 0 0 0 82 51 1 0 0 0 0 83 31 1 0 0 0 0 83 52 1 0 0 0 0 84 44 1 0 0 0 0 84 50 1 0 0 0 0 85 45 1 0 0 0 0 85 49 1 0 0 0 0 86 46 1 0 0 0 0 86 52 1 0 0 0 0 87 51 1 0 0 0 0 87 53 1 0 0 0 0 M END > CHEM022707 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-43(74)44(84-50-41(72)37(68)34(65)27(20-61)81-50)45(46(86-52)47(75)76)85-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76) > VCKOESYEYAKTRT-UHFFFAOYSA-N > C59H94O28 > 1251.3609 > 1250.593162424 > 27 > 129.89438738255717 > 0 > 16 > 0 > 0 > 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.44 > -1.8059677626666648 > -2.95 > 1 > 10 > -1 > 11.647535608295927 > 3.409744976641812 > -3.679025732357002 > 450.1200000000002 > 289.61379999999997 > 15 > 0 > 1.42e+00 g/l > 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-[glucosyl-(1->3)-[arabinosyl-(1->4)]-glucuronide] > 344911-91-7 $$$$