Mrv1652309072211242D 51 55 0 0 1 0 999 V2000 6.4465 -3.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 -3.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 -4.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 -2.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9067 -1.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -1.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 -0.2600 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 6.5509 0.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1122 1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5073 -0.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3142 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 -1.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 -0.7719 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 6.8106 2.4068 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 5.0138 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 3.9363 3.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 4.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9664 5.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0235 5.2973 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 2.7212 3.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 2.1933 0.0000 C 0 0 1 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 1.2928 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 2.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 1.6883 0.0000 C 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 1.0293 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 1.3809 0.0000 C 0 0 2 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 3.0533 -0.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 -0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -1.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 -1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 1.6055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4712 1.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4002 0.0797 0.0000 O 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 1 6 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 2 0 0 0 0 40 38 1 1 0 0 0 33 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 9 42 1 0 0 0 0 42 43 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 42 47 1 0 0 0 0 31 47 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 M END > NP0247517 > 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(C[C@@H]3[C@H](CC(C)(C)C3=O)[C@@](C)([C@H]1OC(C)=O)[C@H]2OC(C)=O)OC(C)=O > InChI=1S/C37H46O14/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/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33+,35+,36+,37+/m0/s1 > GVQACOLUOBLBLO-OXYAQOGVSA-N > C37H46O14 > 714.761 > 714.288756161 > 8 > 97 > 72.9648250477536 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16R)-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}]hexadecan-4-yl benzoate > 2.951633087666664 > 1 > 5 > 0 > 17.390960154288848 > 13.4021291796221 > -3.4976871430857805 > 195.09999999999997 > 172.1398 > 14 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16R)-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}]hexadecan-4-yl benzoate > 0 > NP0247517 > (1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-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]hexadecan-4-yl benzoate $$$$