Mrv1652309122214032D 48 53 0 0 1 0 999 V2000 5.1773 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 -1.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9683 -1.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5838 -0.9369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0331 -0.2371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8569 -0.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 0.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 1.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4036 1.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3285 -0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 0.5561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4857 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -0.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6531 0.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8934 0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -0.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4269 -1.5948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9576 -2.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -2.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3339 -2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -3.6304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2724 -4.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 -3.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 -2.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 -1.6626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6599 -2.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 -3.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -3.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5868 -3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 -3.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -5.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -5.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -4.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1352 -1.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 -0.5133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1297 -1.2387 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 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 21 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 39 44 1 0 0 0 0 35 45 1 0 0 0 0 5 45 1 0 0 0 0 19 45 1 0 0 0 0 45 46 1 6 0 0 0 24 47 1 0 0 0 0 19 47 1 0 0 0 0 47 48 1 6 0 0 0 M END > NP0328517 > NP-MRD > C[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@H](O)[C@]12OC3(C)C > InChI=1S/C38H40O10/c1-22-21-27(45-33(41)24-15-9-6-10-16-24)31(44-23(2)39)37(5)32(47-35(43)26-19-13-8-14-20-26)29(46-34(42)25-17-11-7-12-18-25)28-30(40)38(22,37)48-36(28,3)4/h6-20,22,27-32,40H,21H2,1-5H3/t22-,27+,28-,29-,30-,31+,32+,37+,38-/m1/s1 > KRIXKONSAFPFFK-FTBSFRQTSA-N > C38H40O10 > 656.728 > 656.262147488 > 6 > 88 > 68.70892846903146 > 0 > 1 > 0 > 0 > (1S,2R,4S,5R,6S,7R,8R,9S,12R)-5-(acetyloxy)-7,8-bis(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-4-yl benzoate > 6.503059145666668 > 1 > 6 > 0 > 13.573241522875513 > -3.4228641578942502 > 134.66 > 171.7984 > 11 > 0 > (1S,2R,4S,5R,6S,7R,8R,9S,12R)-5-(acetyloxy)-7,8-bis(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-4-yl benzoate > 0 > NP0328517 > (1s,2r,4s,5r,6s,7r,8r,9s,12r)-5-(acetyloxy)-7,8-bis(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate $$$$