Mrv1652304292204472D 62 68 0 0 1 0 999 V2000 5.1560 1.9462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2604 1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4790 0.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2710 0.3589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9773 0.8178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9323 1.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 0.8335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2282 0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4790 -0.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4519 0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 1.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8512 2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 2.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 1.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3107 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -0.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -1.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 -2.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 0.2622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9925 0.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9738 1.4842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3032 1.8917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4643 2.2723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9098 1.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1776 0.5141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7367 -0.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -0.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 -1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0901 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 3.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 3.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 2.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 4.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3612 4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 2.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2679 2.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9970 1.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 2.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8728 -0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 -0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 -1.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -0.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3045 -1.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 2.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 3.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7989 4.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5557 2.8200 0.0000 C 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 2 0 0 0 0 5 17 1 6 0 0 0 4 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 2 26 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 24 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 28 37 1 0 0 0 0 25 37 1 1 0 0 0 28 38 1 6 0 0 0 27 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 26 44 1 1 0 0 0 25 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 3 47 1 6 0 0 0 46 48 1 0 0 0 0 2 48 1 6 0 0 0 46 49 1 6 0 0 0 24 50 1 1 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 23 54 1 6 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 1 59 1 1 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 M END > NP0081709 > NP-MRD > CCC(=O)O[C@@H]1[C@]2(OC(C)=O)[C@H](OC(=O)C(\C)=C\C)[C@@]3(C)C[C@]22O[C@]4(C)O[C@]11[C@H](CC(=O)OC)[C@@](C)(C[C@H](OC(C)=O)[C@]1(O4)[C@@]2(C)[C@@H]3CC(=O)OC)[C@H](OC(C)=O)C1=COC=C1 > InChI=1S/C44H56O18/c1-13-22(3)34(51)58-35-38(8)21-41-39(9,27(38)17-31(49)52-11)44-29(55-23(4)45)19-37(7,33(56-24(5)46)26-15-16-54-20-26)28(18-32(50)53-12)42(44,61-40(10,60-41)62-44)36(57-30(48)14-2)43(35,41)59-25(6)47/h13,15-16,20,27-29,33,35-36H,14,17-19,21H2,1-12H3/b22-13+/t27-,28-,29+,33-,35-,36+,37-,38+,39+,40-,41-,42-,43-,44+/m1/s1 > CSEGILGYHYMKDO-KNGTZUHESA-N > C44H56O18 > 872.914 > 872.346664963 > 10 > 118 > 80.93074155540123 > 0 > 0 > 0 > 0 > (1R,2S,3R,4R,5S,6R,7S,8R,10R,12R,13S,15R,16R)-3,13-bis(acetyloxy)-15-[(S)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1^{5,8}.0^{1,12}.0^{3,8}.0^{7,12}]octadecan-4-yl (2E)-2-methylbut-2-enoate > 3.31 > 4.056221244999996 > -3.53 > 1 > 7 > 0 > -2.862329640155388 > 224.92999999999992 > 206.2231000000001 > 20 > 0 > 2.59e-01 g/l > (1R,2S,3R,4R,5S,6R,7S,8R,10R,12R,13S,15R,16R)-3,13-bis(acetyloxy)-15-[(S)-(acetyloxy)(furan-3-yl)methyl]-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-(propanoyloxy)-9,11,17-trioxahexacyclo[8.6.1.1^{5,8}.0^{1,12}.0^{3,8}.0^{7,12}]octadecan-4-yl (2E)-2-methylbut-2-enoate > 0 > NP0081709 > Swietenitin H $$$$