Mrv1652309082200512D 55 59 0 0 1 0 999 V2000 2.4497 -3.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5406 -2.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6837 -2.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -2.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0356 -1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 -2.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 -0.4078 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 6.5586 0.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4119 1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9878 1.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8085 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6246 0.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1376 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8345 -0.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0185 -1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5055 -0.4616 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 6.7527 2.5078 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 4.9598 3.1754 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 3.9530 3.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 4.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4351 5.2499 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 2.8325 3.4482 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 3.0320 -0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -1.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -2.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7131 -1.1201 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 4.4904 1.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0861 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 0.1054 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 1.0859 0.6165 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 0.5230 2.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 2.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3233 3.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 3.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 3.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 4.7787 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 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 51 52 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 M END > NP0257671 > 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(CC3C([C@H](OC(C)=O)C(C)(C)C3=O)[C@@](C)([C@@H]1OC(C)=O)[C@H]2OC(C)=O)OC(C)=O > InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25?,27?,28+,29-,31-,32+,34+,35-,37+,38+,39+/m0/s1 > IFVZGQVJBOEHFG-AJICLSQGSA-N > C39H48O16 > 772.797 > 772.294235466 > 9 > 103 > 76.76267215432316 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,11S,16S)-1,8,11,16-tetrakis(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 > 2.239901160999998 > 1 > 5 > 0 > 15.31647412815293 > 13.396155095449604 > -3.4977467190425298 > 221.39999999999995 > 182.72980000000004 > 16 > 0 > (1R,2R,3R,4S,5S,7R,8R,9R,11S,16S)-1,8,11,16-tetrakis(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 > NP0257671 > (1r,2r,3r,4s,5s,7r,8r,9r,11s,16s)-1,8,11,16-tetrakis(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 $$$$