15957458 -OEChem-05112416002D 110116 0 1 0 0 0 0 0999 V2000 5.7251 -6.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 -4.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5825 -3.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0589 -2.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -3.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -1.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 -2.6412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1806 -6.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0013 -2.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 0.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.4040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -3.9478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9042 -4.9783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8284 -3.5651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0827 -5.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6762 -3.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0589 -2.6412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9924 -4.1864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1204 -5.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5533 -5.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4457 -2.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -1.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -3.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 -1.7173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4572 -0.9363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4940 -0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9738 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 -5.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5787 -3.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 -6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1523 -4.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 0.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 -5.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1485 -4.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6126 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -6.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7221 -5.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3537 2.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2995 -6.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 3.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8020 4.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0268 2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5091 4.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7339 3.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 4.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2241 5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2229 5.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9549 6.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9610 6.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 -4.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 -6.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 -3.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4969 -4.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 -5.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -5.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9352 -6.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -5.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1065 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 -1.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1418 -2.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -2.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6673 -3.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9494 -1.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -0.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1343 -0.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -0.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9475 -2.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 -1.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6265 -0.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3689 -2.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -4.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8702 0.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 0.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6628 0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0724 -6.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 -6.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 -6.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 1.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1121 -5.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4104 -4.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 1.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0414 -7.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3397 -5.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 2.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6552 -6.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 1.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 1.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -0.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -1.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -0.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 4.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1872 2.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3328 3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6234 5.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8199 5.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7921 7.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4011 6.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 15 2 1 1 0 0 0 2 34 1 0 0 0 0 18 3 1 1 0 0 0 3 35 1 0 0 0 0 19 4 1 6 0 0 0 4 81 1 0 0 0 0 20 5 1 6 0 0 0 5 82 1 0 0 0 0 28 6 1 6 0 0 0 6 37 1 0 0 0 0 7 24 2 0 0 0 0 29 8 1 1 0 0 0 8 39 1 0 0 0 0 9 34 2 0 0 0 0 10 35 2 0 0 0 0 11 37 2 0 0 0 0 12 39 2 0 0 0 0 13 40 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 60 1 1 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 17 61 1 1 0 0 0 18 19 1 0 0 0 0 18 62 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 29 30 1 0 0 0 0 29 74 1 0 0 0 0 30 33 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 36 1 0 0 0 0 35 38 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 40 1 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 44 1 0 0 0 0 41 91 1 0 0 0 0 42 45 2 0 0 0 0 42 92 1 0 0 0 0 43 46 2 0 0 0 0 43 93 1 0 0 0 0 44 47 2 0 0 0 0 44 94 1 0 0 0 0 45 47 1 0 0 0 0 45 95 1 0 0 0 0 46 50 1 0 0 0 0 46 96 1 0 0 0 0 47 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 51104 1 0 0 0 0 52 54 2 0 0 0 0 52105 1 0 0 0 0 53 55 1 0 0 0 0 53 56 2 0 0 0 0 54 55 1 0 0 0 0 54106 1 0 0 0 0 55 57 2 0 0 0 0 56 58 1 0 0 0 0 56107 1 0 0 0 0 57 59 1 0 0 0 0 57108 1 0 0 0 0 58 59 2 0 0 0 0 58109 1 0 0 0 0 59110 1 0 0 0 0 M END > 15957458 > 1 > 1730 > 13 > 2 > 13 > AAADcfB+PAAAAAAAAAAAAAAAAABIAAAAAAAwYMGCAAAaIADBVAAAHgAACAAAD1ThmAYyCMMABgCIAqDSCAICAAAkAAAIiAHICMgLNjaANTyDcQAl4AEbqYfK7PzPwAACAAAQAADCAAYQADCAAAAAAAAAAA== > [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetoxy-12-[2-(dimethylamino)acetyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(E)-3-(2-naphthyl)prop-2-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetyloxy-12-[2-(dimethylamino)-1-oxoethoxy]-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(E)-3-(2-naphthalenyl)-1-oxoprop-2-enoxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetyloxy-12-[2-(dimethylamino)acetyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(E)-3-naphthalen-2-ylprop-2-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetyloxy-12-[2-(dimethylamino)acetyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-15-[(E)-3-naphthalen-2-ylprop-2-enoyl]oxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetyloxy-12-[2-(dimethylamino)ethanoyloxy]-10,14,17,17-tetramethyl-15-[(E)-3-naphthalen-2-ylprop-2-enoyl]oxy-1,9-bis(oxidanyl)-11-oxidanylidene-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate > benzoic acid [(1S,2S,3R,4S,7R,9S,12R,15S)-4-acetoxy-12-[2-(dimethylamino)acetyl]oxy-1,9-dihydroxy-11-keto-10,14,17,17-tetramethyl-15-[(E)-3-(2-naphthyl)acryloyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ester > InChI=1S/C46H51NO12/c1-26-32(56-35(50)20-18-28-17-19-29-13-11-12-16-31(29)21-28)23-46(54)41(58-42(53)30-14-9-8-10-15-30)39-44(5,33(49)22-34-45(39,25-55-34)59-27(2)48)40(52)38(37(26)43(46,3)4)57-36(51)24-47(6)7/h8-21,32-34,38-39,41,49,54H,22-25H2,1-7H3/b20-18+/t32-,33-,34+,38+,39-,41-,44?,45-,46+/m0/s1 > YOVNUYGXRMBFOY-DUGXMWLTSA-N > 5.2 > 809.34112606 > C46H51NO12 > 809.9 > CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C=CC5=CC6=CC=CC=C6C=C5)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CN(C)C > CC1=C2[C@H](C(=O)C3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)/C=C/C5=CC6=CC=CC=C6C=C5)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)CN(C)C > 175 > 809.34112606 > 0 > 59 > 8 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 14 60 5 16 27 3 17 61 5 15 2 5 18 3 5 38 41 8 38 42 8 19 4 6 41 44 8 42 45 8 44 47 8 45 47 8 20 5 6 50 51 8 50 52 8 51 53 8 52 54 8 53 55 8 53 56 8 54 55 8 55 57 8 56 58 8 57 59 8 58 59 8 28 6 6 29 8 5 $$$$