Mrv0541 02241218422D 88100 0 0 0 0 999 V2000 -4.7133 2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4714 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4714 3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2952 3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 4.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 4.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 1.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5386 2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 4.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 0.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 0.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 2.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 3.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 3.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 3.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -0.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 -0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 1.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -0.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2324 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8442 0.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6598 0.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4302 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 -0.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1824 1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 -2.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 -3.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 -4.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -3.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9227 -2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0518 -2.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -4.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7122 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4634 -1.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -1.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 -1.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5912 -2.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 -1.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 -1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 -0.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 -2.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -3.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -2.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0824 -3.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 -3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 41 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 37 38 1 0 0 0 0 37 50 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 41 42 2 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 77 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 2 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 73 1 0 0 0 0 52 74 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 54 56 2 0 0 0 0 54 60 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 61 1 0 0 0 0 58 59 1 0 0 0 0 58 62 1 0 0 0 0 59 60 2 0 0 0 0 59 63 1 0 0 0 0 60 64 1 0 0 0 0 64 65 2 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 65 70 1 0 0 0 0 66 67 2 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 68 69 2 0 0 0 0 69 87 1 0 0 0 0 73 75 1 0 0 0 0 74 86 1 0 0 0 0 75 76 2 0 0 0 0 75 78 1 0 0 0 0 77 78 2 0 0 0 0 77 82 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 81 82 2 0 0 0 0 81 84 1 0 0 0 0 82 83 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 M END > CHEM026717 > chemdb > OC1=CC2=C(C(O)=C1O)C1=C(O)C(O)=C(O)C3=C1C(=O)OC(C1OC(=O)C4=C(C1C1=C5C(=O)OC6=C7C(=CC(O)=C6O)C(=O)OC(C(O)=C1O)=C57)C(O)=C(O)C(O)=C34)C1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OCC1OC2=O > InChI=1S/C55H30O33/c56-10-1-6-15(33(64)29(10)60)16-7(2-11(57)30(61)34(16)65)51(77)84-44-14(5-82-49(6)75)83-50(76)8-3-12(58)31(62)35(66)17(8)19-26-20(37(68)41(72)36(19)67)21-27-22(39(70)42(73)38(21)69)25(47(87-53(27)79)48(44)88-54(26)80)23-28-24-18-9(52(78)85-46(24)43(74)40(23)71)4-13(59)32(63)45(18)86-55(28)81/h1-4,14,25,44,47-48,56-74H,5H2 > MLTBCPQCBQEVMT-UHFFFAOYSA-N > C55H30O33 > 1218.8069 > 1218.066933486 > 26 > 108.86800058208684 > 0 > 19 > 0 > 0 > 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23(28),24,26,29,31,33(45),34,36,38-pentadecaene-4,17,22,40,44-pentone > 3.41 > 4.786383127000001 > -2.27 > 0 > 13 > -2 > 7.69513204399881 > 7.244041402614826 > -4.795929145214722 > 568.4700000000001 > 280.5952 > 1 > 0 > 6.58e+00 g/l > 7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaen-5-yl}-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1³⁸,⁴².0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁴⁵.0³⁴,³⁹]hexatetraconta-5,7,9,11,13,15,23(28),24,26,29,31,33(45),34,36,38-pentadecaene-4,17,22,40,44-pentone > 0 > Castacrenin F > 200435-36-5 $$$$