Mrv1652309092209582D 51 55 0 0 1 0 999 V2000 6.4446 -3.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 -3.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -4.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1107 -2.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 -1.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9664 -1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -1.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9332 -0.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 0.6664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8469 1.3809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6638 1.2660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5530 0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 1.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6041 -0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 -0.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 2.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8067 2.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 2.1933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9928 3.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 2.7236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9391 3.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 4.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 5.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 5.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2466 2.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7543 3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 0.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 0.3842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0872 -0.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 -1.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -1.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 1.6055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4665 1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8108 0.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 0.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 0.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 1.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 2.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 15 20 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 9 36 1 0 0 0 0 36 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 36 41 1 0 0 0 0 31 41 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 34 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 33 51 1 0 0 0 0 M END > NP0281552 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)C1=CC=CC=C1)[C@@H](OC(=O)COC(C)=O)[C@@]1(CC3=C(CC(C)(C)C3=O)[C@@](C)([C@@H]1OC(C)=O)[C@H]2OC(C)=O)OC(C)=O > InChI=1S/C37H44O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,27+,28-,30+,32+,33-,35+,36+,37+/m0/s1 > YCIDDPJVGRDZIM-REQQWSBUSA-N > C37H44O14 > 712.745 > 712.273106097 > 8 > 95 > 72.0991103188418 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,16S)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadec-10(14)-en-4-yl benzoate > 2.7583629636666647 > 1 > 5 > 0 > 13.391746204126779 > -3.502250210314946 > 195.09999999999997 > 172.74910000000003 > 14 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,16S)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0^{3,7}.0^{10,14}]hexadec-10(14)-en-4-yl benzoate > 0 > NP0281552 > (1r,2r,3r,4s,5s,7r,8r,9r,16s)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-4-yl benzoate $$$$