Mrv2104 03092314472D 32 34 0 0 1 0 999 V2000 -0.6928 -6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -5.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4073 -5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4086 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 -5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1217 -6.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -5.4138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8631 -4.6993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1487 -4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5131 -4.6993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9980 -5.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6881 -4.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6527 -3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4063 -3.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3201 -4.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 -3.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 -2.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 14 2 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 17 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 18 22 1 1 0 0 0 18 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 24 30 1 0 0 0 0 29 31 2 0 0 0 0 28 32 2 0 0 0 0 M END > NP0333508 > NP-MRD > [H][C@@]12C[C@]3([H])C(=C)C(=O)O[C@]3([H])C[C@]1(C)C2CC[C@@H](C)OC(=O)CCCCCCCCO > InChI=1S/C24H38O5/c1-16(28-22(26)10-8-6-4-5-7-9-13-25)11-12-19-20-14-18-17(2)23(27)29-21(18)15-24(19,20)3/h16,18-21,25H,2,4-15H2,1,3H3/t16-,18-,19?,20+,21-,24-/m1/s1 > PCDCQULQISVAFR-FKXKYRGJSA-N > C24H38O5 > 406.563 > 406.271924324 > 3 > 67 > 46.958106787993344 > 1 > 1 > 0 > 1 > (2R)-4-[(1R,3S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl 9-hydroxynonanoate > 4.613343506666666 > 1 > 3 > 0 > 16.84394282199191 > -1.9922497010525435 > 72.83000000000001 > 111.47949999999997 > 13 > 1 > (2R)-4-[(1R,3S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl 9-hydroxynonanoate > 0 > NP0333508 > Carabrolate H $$$$