Mrv0541 02241210292D 75 84 0 0 0 0 999 V2000 2.0589 6.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 5.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 4.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 4.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 3.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 3.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 5.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 4.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 4.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 4.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 3.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 2.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 4.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 3.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 3.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 3.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 4.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0984 5.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 6.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 6.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4334 6.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 6.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 5.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 4.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 0.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2427 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -0.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 1.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -1.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -1.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -2.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -2.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -2.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 -3.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 -2.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -1.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 -4.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -4.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -4.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -5.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -5.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3853 -5.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3853 -4.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -5.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 -6.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 -6.6710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 -5.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 -4.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -3.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -4.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -5.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -5.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 -5.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -3.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 -4.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4732 -5.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -6.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 -5.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 40 43 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 52 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 49 55 1 0 0 0 0 50 54 1 0 0 0 0 52 53 1 0 0 0 0 54 66 1 0 0 0 0 54 70 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 61 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 71 1 0 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 M END > CHEM032330 > chemdb > CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 > InChI=1S/C51H84O24/c1-19-7-10-51(66-18-19)20(2)32-27(75-51)12-24-22-6-5-21-11-26(25(56)13-50(21,4)23(22)8-9-49(24,32)3)67-45-41(65)38(62)42(31(17-55)71-45)72-48-44(74-47-40(64)37(61)34(58)29(15-53)69-47)43(35(59)30(16-54)70-48)73-46-39(63)36(60)33(57)28(14-52)68-46/h19-48,52-65H,5-18H2,1-4H3 > OJXYLGQQFXELNY-UHFFFAOYSA-N > C51H84O24 > 1081.1983 > 1080.535253616 > 24 > 114.03416911218683 > 0 > 14 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.81 > -2.825361254333334 > -2.54 > 1 > 10 > 0 > 12.192816389485113 > 11.754279528124592 > -3.648377595760352 > 375.52000000000004 > 250.43060000000008 > 12 > 0 > 3.10e+00 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15'-oloxy}oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Cistocardin > 155545-00-9 $$$$