Mrv0541 05061312142D 75 84 0 0 0 0 999 V2000 2.9655 -4.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3817 -3.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 5.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9268 4.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8044 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 -1.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5684 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 3.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 3.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -3.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 5.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1494 2.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 2.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8979 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1018 0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 -2.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 -0.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 -2.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8999 3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 -3.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 4.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 2.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 -1.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -1.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 -2.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3937 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2245 -3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 4.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 2.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 -4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 4.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 2.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -1.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9675 2.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 -1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 0.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9448 -0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7305 -3.1171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.6132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 3.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8929 -4.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 4.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 2.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 -4.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 5.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 3.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 2.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -0.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 21 6 1 0 0 0 0 22 7 1 0 0 0 0 22 8 1 0 0 0 0 23 9 1 0 0 0 0 23 13 2 0 0 0 0 24 10 1 0 0 0 0 24 14 2 0 0 0 0 25 11 1 0 0 0 0 25 15 1 0 0 0 0 26 12 1 0 0 0 0 26 16 1 0 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 15 2 0 0 0 0 30 16 2 0 0 0 0 31 17 1 0 0 0 0 32 18 1 0 0 0 0 33 19 1 0 0 0 0 33 27 2 0 0 0 0 34 20 1 0 0 0 0 34 28 2 0 0 0 0 35 21 1 0 0 0 0 35 29 1 0 0 0 0 36 22 1 0 0 0 0 36 30 1 0 0 0 0 37 23 1 0 0 0 0 38 24 1 0 0 0 0 39 25 2 0 0 0 0 39 37 1 0 0 0 0 40 26 2 0 0 0 0 40 38 1 0 0 0 0 41 27 1 0 0 0 0 41 31 2 0 0 0 0 42 28 1 0 0 0 0 42 32 2 0 0 0 0 43 29 1 0 0 0 0 44 30 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 31 1 0 0 0 0 48 32 1 0 0 0 0 49 37 2 0 0 0 0 49 41 1 0 0 0 0 50 38 2 0 0 0 0 50 42 1 0 0 0 0 51 33 1 0 0 0 0 51 47 2 0 0 0 0 52 34 1 0 0 0 0 52 48 2 0 0 0 0 53 35 2 0 0 0 0 54 36 2 0 0 0 0 55 45 1 0 0 0 0 55 53 1 0 0 0 0 56 46 1 0 0 0 0 56 54 1 0 0 0 0 57 39 1 0 0 0 0 57 43 2 0 0 0 0 58 40 1 0 0 0 0 58 44 2 0 0 0 0 59 46 2 0 0 0 0 60 45 2 0 0 0 0 61 17 2 0 0 0 0 62 59 1 0 0 0 0 62 60 1 0 0 0 0 63 18 2 0 0 0 0 64 47 1 0 0 0 0 65 48 1 0 0 0 0 66 49 1 0 0 0 0 67 50 1 0 0 0 0 68 51 1 0 0 0 0 69 52 1 0 0 0 0 70 53 1 0 0 0 0 71 54 1 0 0 0 0 72 55 2 0 0 0 0 73 56 2 0 0 0 0 74 57 1 0 0 0 0 74 59 1 0 0 0 0 75 58 1 0 0 0 0 75 60 1 0 0 0 0 M END > CHEM034055 > chemdb > CC(C)C1=C(O)C(=O)C2=C3NC(OC4=C2C1=CC(C)=C4C1=C(O)C2=C(C=N)C(O)=C(O)C(C(C)C)=C2C=C1C)=C1C(=O)C(O)=C(C(C)C)C2=CC(C)=C(C(O3)=C12)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C > InChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3 > UGHAANNLJNAXPH-UHFFFAOYSA-N > C60H56N2O13 > 1013.0922 > 1012.378239888 > 15 > 111.41160918274741 > 0 > 10 > 0 > 0 > 7-{20-[8-carboximidoyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-4,15-dihydroxy-8,19-dimethyl-3,14-dioxo-5,16-bis(propan-2-yl)-11,22-dioxa-23-azahexacyclo[10.10.1.1²,⁶.1¹³,¹⁷.0¹⁰,²⁵.0²¹,²⁴]pentacosa-1,4,6,8,10(25),12,15,17,19,21(24)-decaen-9-yl}-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde > 6.47 > 12.646070978439631 > -5.94 > 1 > 10 > 0 > 7.293333101479636 > 6.740999127478886 > 8.630100567438896 > 267.39 > 320.43519999999984 > 6 > 0 > 1.15e-03 g/l > 7-[20-(8-carboximidoyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalen-2-yl)-4,15-dihydroxy-5,16-diisopropyl-8,19-dimethyl-3,14-dioxo-11,22-dioxa-23-azahexacyclo[10.10.1.1²,⁶.1¹³,¹⁷.0¹⁰,²⁵.0²¹,²⁴]pentacosa-1,4,6,8,10(25),12,15,17,19,21(24)-decaen-9-yl]-2,3,8-trihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde > 0 > Gossypurpurin > 21891-57-6 $$$$