Mrv0541 05061306152D 97107 0 0 0 0 999 V2000 -3.6316 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0609 -1.5014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2096 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 1.8414 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 19 17 1 0 0 0 0 20 18 1 0 0 0 0 24 1 1 0 0 0 0 25 2 1 0 0 0 0 26 3 1 0 0 0 0 27 11 2 0 0 0 0 28 21 1 0 0 0 0 28 27 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 13 1 0 0 0 0 32 12 1 0 0 0 0 33 14 1 0 0 0 0 34 24 1 0 0 0 0 35 25 1 0 0 0 0 36 29 1 0 0 0 0 37 30 1 0 0 0 0 38 34 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 43 42 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 1 0 0 0 0 48 26 1 0 0 0 0 48 44 1 0 0 0 0 49 42 1 0 0 0 0 50 40 1 0 0 0 0 51 41 1 0 0 0 0 52 43 1 0 0 0 0 53 49 1 0 0 0 0 54 45 1 0 0 0 0 55 46 1 0 0 0 0 56 47 1 0 0 0 0 57 50 1 0 0 0 0 58 51 1 0 0 0 0 59 52 1 0 0 0 0 61 4 1 0 0 0 0 61 5 1 0 0 0 0 61 17 1 0 0 0 0 61 21 1 0 0 0 0 62 6 1 0 0 0 0 62 7 1 0 0 0 0 62 31 1 0 0 0 0 62 33 1 0 0 0 0 63 8 1 0 0 0 0 63 15 1 0 0 0 0 63 31 1 0 0 0 0 63 32 1 0 0 0 0 64 9 1 0 0 0 0 64 18 1 0 0 0 0 64 27 1 0 0 0 0 65 10 1 0 0 0 0 65 16 1 0 0 0 0 65 32 1 0 0 0 0 65 64 1 0 0 0 0 66 19 1 0 0 0 0 66 20 1 0 0 0 0 66 28 1 0 0 0 0 66 60 1 0 0 0 0 67 22 1 0 0 0 0 68 23 1 0 0 0 0 69 34 1 0 0 0 0 70 35 1 0 0 0 0 71 36 1 0 0 0 0 72 37 1 0 0 0 0 73 38 1 0 0 0 0 74 39 1 0 0 0 0 75 40 1 0 0 0 0 76 41 1 0 0 0 0 77 42 1 0 0 0 0 78 43 1 0 0 0 0 79 44 1 0 0 0 0 80 45 1 0 0 0 0 81 46 1 0 0 0 0 82 47 1 0 0 0 0 83 53 2 0 0 0 0 84 53 1 0 0 0 0 85 60 2 0 0 0 0 86 24 1 0 0 0 0 86 54 1 0 0 0 0 87 25 1 0 0 0 0 87 55 1 0 0 0 0 88 26 1 0 0 0 0 88 56 1 0 0 0 0 89 29 1 0 0 0 0 89 57 1 0 0 0 0 90 30 1 0 0 0 0 90 58 1 0 0 0 0 91 33 1 0 0 0 0 91 59 1 0 0 0 0 92 48 1 0 0 0 0 92 54 1 0 0 0 0 93 49 1 0 0 0 0 93 59 1 0 0 0 0 94 50 1 0 0 0 0 94 55 1 0 0 0 0 95 51 1 0 0 0 0 95 56 1 0 0 0 0 96 52 1 0 0 0 0 96 57 1 0 0 0 0 97 58 1 0 0 0 0 97 60 1 0 0 0 0 M END > CHEM026786 > chemdb > CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O > InChI=1S/C66H106O31/c1-24-34(69)38(73)45(80)54(86-24)92-48-26(3)88-56(47(82)44(48)79)95-51-41(76)37(72)30(23-68)90-58(51)97-60(85)66-19-17-61(4,5)21-28(66)27-11-12-32-63(8)15-14-33(62(6,7)31(63)13-16-65(32,10)64(27,9)18-20-66)91-59-52(43(78)42(77)49(93-59)53(83)84)96-57-50(40(75)36(71)29(22-67)89-57)94-55-46(81)39(74)35(70)25(2)87-55/h11,24-26,28-52,54-59,67-82H,12-23H2,1-10H3,(H,83,84) > NRWHQLLFSRFPCQ-UHFFFAOYSA-N > C66H106O31 > 1395.5292 > 1394.671806674 > 30 > 143.96926814061686 > 0 > 17 > 0 > 0 > 6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > 0.68 > -1.0664084503333344 > -2.99 > 1 > 11 > -1 > 11.809296605381663 > 3.3646458131463266 > -3.6859093556844895 > 488.81000000000023 > 323.35849999999965 > 16 > 0 > 1.42e+00 g/l > 6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > 0 > Lablaboside F > 208390-15-2 $$$$