Mrv0541 05061306522D 71 80 0 0 0 0 999 V2000 5.7973 2.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0426 0.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 1.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -1.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 -0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9059 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 -0.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9699 0.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2573 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5410 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 0.9570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5485 2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 1.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2356 -0.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 -0.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6645 -0.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -2.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 -1.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 0.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 1.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0935 -0.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5224 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7986 1.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 0.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2387 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8135 -2.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -2.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 1.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 -0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9513 -0.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6677 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3803 -0.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3765 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6602 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6565 1.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0891 0.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0966 -1.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5075 2.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 2.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9401 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2275 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7602 1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 2.8255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2163 3.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 4.0533 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 23 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 28 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 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 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 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 39 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 50 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 51 1 0 0 0 0 52 62 1 0 0 0 0 52 66 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 60 1 0 0 0 0 58 59 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 70 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 65 68 1 0 0 0 0 66 67 1 0 0 0 0 70 71 1 0 0 0 0 M END > CHEM027304 > chemdb > CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O > InChI=1S/C50H81NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h6,20-21,23-48,52-63H,5,7-19H2,1-4H3 > AGGQBLQYYGOWKY-UHFFFAOYSA-N > C50H81NO20 > 1016.1728 > 1015.535194037 > 21 > 109.87156485610578 > 0 > 12 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.33 > -2.745649395676528 > -2.78 > 1 > 10 > 1 > 12.429136870613156 > 12.109765573355974 > 11.697109790269996 > 319.84000000000003 > 244.54810000000006 > 11 > 0 > 1.69e+00 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > 5,6-Dehydrodemissine > 195433-57-9 $$$$