Mrv2104 03092314382D 40 42 0 0 1 0 999 V2000 -0.1185 -8.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -7.9697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8329 -7.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8342 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5487 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9776 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9776 -6.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6921 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4066 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1211 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8355 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2645 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9789 -7.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 -8.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 -7.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -7.5572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8499 -7.5572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4374 -6.8427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7230 -6.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 -8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 -6.8427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5724 -7.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -6.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2624 -6.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -5.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9807 -5.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -6.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6951 -5.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -4.7082 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 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 4 22 2 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 26 30 1 1 0 0 0 26 31 1 0 0 0 0 32 31 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 29 1 0 0 0 0 34 35 1 1 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 32 38 1 0 0 0 0 37 39 2 0 0 0 0 36 40 2 0 0 0 0 M END > NP0333507 > NP-MRD > [H][C@@]12C[C@]3([H])C(=C)C(=O)O[C@]3([H])C[C@]1(C)[C@H]2CC[C@@H](C)OC(=O)CCCCCCCCC(O)CCCCCCO > InChI=1S/C31H52O6/c1-22(17-18-26-27-20-25-23(2)30(35)37-28(25)21-31(26,27)3)36-29(34)16-12-7-5-4-6-10-14-24(33)15-11-8-9-13-19-32/h22,24-28,32-33H,2,4-21H2,1,3H3/t22-,24?,25-,26+,27+,28-,31-/m1/s1 > IHADMWSXLGLKAM-SVJYHDJISA-N > C31H52O6 > 520.751 > 520.376389394 > 4 > 89 > 63.05268957775324 > 0 > 2 > 0 > 0 > (2R)-4-[(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl 10,16-dihydroxyhexadecanoate > 6.338605634666665 > 1 > 3 > 0 > 18.484172991373963 > 16.843942820561402 > -1.1986636891499451 > 93.06 > 145.35599999999997 > 20 > 0 > (2R)-4-[(1R,3S,4S,5R,7R)-5-methyl-10-methylidene-9-oxo-8-oxatricyclo[5.3.0.0^{3,5}]decan-4-yl]butan-2-yl 10,16-dihydroxyhexadecanoate > 0 > NP0333507 > Carabrolate G $$$$