Mrv1652309082218152D 48 51 0 0 1 0 999 V2000 -2.4258 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 -1.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 -1.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -1.6517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4723 -1.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3255 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -0.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4187 0.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 0.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -0.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9676 0.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 1.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7257 1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -0.8812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3662 -0.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8578 -1.4493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5298 -2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -2.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4065 -3.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 -3.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 -3.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -4.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.6382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9973 -2.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7939 -3.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -4.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 -4.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -5.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1294 -6.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 -1.8538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7285 -2.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -3.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -3.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 -4.3039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1159 -4.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -5.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -1.3656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1858 -0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 -1.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 -0.0741 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 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 10 9 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 20 14 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 24 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 29 24 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 6 0 0 0 30 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 1 0 0 0 0 34 36 1 0 0 0 0 29 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 41 39 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 37 45 1 0 0 0 0 45 6 1 1 0 0 0 45 10 1 0 0 0 0 22 46 1 0 0 0 0 21 46 1 1 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M END > NP0270381 > NP-MRD > CC[C@@H](C)C(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)CC)[C@@H](C)C[C@]2(O)C(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@@H]3[C@H](C[C@@H](OC(C)=O)[C@@]12COC(=O)C(C)C)C3(C)C > InChI=1S/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18-,19+,22+,23-,25+,26-,27+,28+,29-,34+,35-,36-/m1/s1 > ZFPRYBONBGSXDA-MJODOORZSA-N > C36H54O12 > 678.816 > 678.361527179 > 7 > 102 > 71.61858776377797 > 0 > 1 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-bis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-1-{[(2-methylpropanoyl)oxy]methyl}-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-2-yl (2R)-2-methylbutanoate > 4.48646519133333 > 1 > 4 > 0 > 12.584748109269007 > -3.8552311770057353 > 168.8 > 168.94100000000003 > 15 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-bis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-1-{[(2-methylpropanoyl)oxy]methyl}-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-2-yl (2R)-2-methylbutanoate > 0 > NP0270381 > (1r,2r,3r,4s,5s,7r,9s,10r,11s,13s,15r)-9,15-bis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-1-{[(2-methylpropanoyl)oxy]methyl}-8-oxo-4-(propanoyloxy)tetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-2-yl (2r)-2-methylbutanoate $$$$