Mrv0541 05061311082D 66 73 0 0 0 0 999 V2000 8.3920 4.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 4.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3499 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 0.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7606 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 3.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 2.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0644 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0644 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 3.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2078 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 2.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2078 3.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2078 2.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3658 -2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3499 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0644 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 -2.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4947 0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7802 0.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 -2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0657 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0657 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6367 1.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 3.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3499 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4934 1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7789 0.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9236 1.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -2.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 -3.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2091 0.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7802 -0.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 1.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -0.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -2.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3512 0.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6367 0.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 2.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3486 -1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7802 2.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 -0.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3512 2.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 22 9 2 0 0 0 0 23 19 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 20 1 0 0 0 0 26 11 1 0 0 0 0 27 10 1 0 0 0 0 28 12 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 30 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 39 34 1 0 0 0 0 40 35 1 0 0 0 0 41 37 1 0 0 0 0 43 1 1 0 0 0 0 43 2 1 0 0 0 0 43 15 1 0 0 0 0 43 19 1 0 0 0 0 44 3 1 0 0 0 0 44 4 1 0 0 0 0 44 26 1 0 0 0 0 44 28 1 0 0 0 0 45 5 1 0 0 0 0 45 13 1 0 0 0 0 45 26 1 0 0 0 0 45 27 1 0 0 0 0 46 6 1 0 0 0 0 46 16 1 0 0 0 0 46 22 1 0 0 0 0 47 7 1 0 0 0 0 47 14 1 0 0 0 0 47 27 1 0 0 0 0 47 46 1 0 0 0 0 48 17 1 0 0 0 0 48 18 1 0 0 0 0 48 23 1 0 0 0 0 48 42 1 0 0 0 0 49 20 1 0 0 0 0 50 24 1 0 0 0 0 51 29 1 0 0 0 0 52 30 1 0 0 0 0 53 31 1 0 0 0 0 54 32 1 0 0 0 0 55 33 1 0 0 0 0 56 34 1 0 0 0 0 57 35 1 0 0 0 0 58 38 2 0 0 0 0 59 42 2 0 0 0 0 60 8 1 0 0 0 0 60 38 1 0 0 0 0 61 21 1 0 0 0 0 61 39 1 0 0 0 0 62 25 1 0 0 0 0 62 40 1 0 0 0 0 63 28 1 0 0 0 0 63 41 1 0 0 0 0 64 36 1 0 0 0 0 64 41 1 0 0 0 0 65 37 1 0 0 0 0 65 39 1 0 0 0 0 66 40 1 0 0 0 0 66 42 1 0 0 0 0 M END > CHEM022708 > chemdb > COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(=O)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(OC2OCC(O)C(O)C2O)C(O)C1O > InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-35(57)31(53)30(52)25(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-37(33(55)32(54)36(64-41)38(58)60-8)65-39-34(56)29(51)24(50)21-61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3 > UTOALNGAUDOJKI-UHFFFAOYSA-N > C48H76O18 > 941.1062 > 940.503165628 > 16 > 101.01613115257817 > 0 > 9 > 0 > 0 > methyl 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)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}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate > 2.79 > 1.8815975846666686 > -3.95 > 1 > 8 > 0 > 12.303230483556582 > 11.838941253455769 > -3.526580682616755 > 280.82 > 229.55630000000005 > 10 > 0 > 1.05e-01 g/l > methyl 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylate > 0 > 28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide] > 117804-22-5 $$$$