Mrv2104 03092315032D 33 35 0 0 1 0 999 V2000 0.3020 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4205 -1.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1105 -0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9849 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7006 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1296 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 -2.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -2.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 9 11 2 0 0 0 0 8 12 2 0 0 0 0 2 13 1 0 0 0 0 13 14 1 0 0 0 0 6 14 1 0 0 0 0 13 15 1 6 0 0 0 13 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 21 32 2 0 0 0 0 19 33 1 6 0 0 0 M END > NP0333510 > 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)CCCCCCCC(O)=O > InChI=1S/C24H36O6/c1-15(29-22(27)10-8-6-4-5-7-9-21(25)26)11-12-18-19-13-17-16(2)23(28)30-20(17)14-24(18,19)3/h15,17-20H,2,4-14H2,1,3H3,(H,25,26)/t15-,17-,18?,19+,20-,24-/m1/s1 > UFFPXKADNLELRM-ITGBXOGYSA-N > C24H36O6 > 420.546 > 420.251188879 > 4 > 66 > 47.148828721349986 > 1 > 1 > 0 > 1 > 9-{[(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]oxy}-9-oxononanoic acid > 4.729780358333334 > 1 > 3 > -1 > 4.448840510551538 > -6.642881891781947 > 89.9 > 111.21619999999999 > 13 > 1 > 9-{[(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]oxy}-9-oxononanoic acid > 0 > NP0333510 > Carabrolate J $$$$