Mrv1652304292201252D 38 42 0 0 1 0 999 V2000 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -2.0484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0452 -1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -0.7661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2279 -0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 -3.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8489 -2.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2314 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 3.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5311 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 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 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 1 0 0 0 1 6 1 0 0 0 0 6 7 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 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 6 0 0 0 16 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 9 24 1 6 0 0 0 7 25 1 6 0 0 0 5 26 1 1 0 0 0 4 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 1 35 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 1 38 1 1 0 0 0 M END > NP0078328 > NP-MRD > CC(C)C[C@H]1O[C@H](O)C(=C1)[C@@H]1CC=C2[C@@]1(C)C[C@@H](O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@H]3C[C@@H](OC(C)=O)[C@@]21C > InChI=1S/C32H46O6/c1-17(2)13-19-14-20(28(36)38-19)21-9-10-23-31(21,7)16-22(34)27-30(6)12-11-25(35)29(4,5)24(30)15-26(32(23,27)8)37-18(3)33/h10-12,14,17,19,21-22,24,26-28,34,36H,9,13,15-16H2,1-8H3/t19-,21+,22-,24-,26-,27-,28+,30+,31+,32-/m1/s1 > MUYYQGZLSSBBNW-PQTZZZTCSA-N > C32H46O6 > 526.714 > 526.329439201 > 5 > 84 > 59.696722331578975 > 1 > 2 > 0 > 0 > (1R,2S,7S,9R,10R,14R,15S,17R)-17-hydroxy-14-[(2S,5R)-2-hydroxy-5-(2-methylpropyl)-2,5-dihydrofuran-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 5.02 > 4.499128494333331 > -5.01 > 0 > 5 > 0 > 14.86176307853841 > 11.817601135535092 > -2.8594379514974833 > 93.06 > 148.1518 > 5 > 0 > 5.19e-03 g/l > (1R,2S,7S,9R,10R,14R,15S,17R)-17-hydroxy-14-[(2S,5R)-2-hydroxy-5-(2-methylpropyl)-2,5-dihydrofuran-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl acetate > 0 > NP0078328 > Azadirachtol $$$$