Mrv1652309062207352D 28 29 0 0 1 0 999 V2000 3.1519 1.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 0.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1519 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4374 -1.6938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1519 -2.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5808 -2.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.9313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4205 -3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4205 -4.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -4.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -4.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -2.1063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5185 -1.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -2.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -0.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2906 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0085 -1.6938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 10 1 6 0 0 0 18 28 1 0 0 0 0 M END > NP0226523 > NP-MRD > CC(=O)O[C@@H](CC=C=C)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1CC\C(C)=C\CCC2=C > InChI=1S/C23H30O5/c1-6-7-11-21(27-17(4)24)20-14-26-23(28-18(5)25)22-16(3)10-8-9-15(2)12-13-19(20)22/h7,9,14,19,21-23H,1,3,8,10-13H2,2,4-5H3/b15-9+/t19-,21+,22+,23-/m1/s1 > WIOGVNILWQDVPU-DFANHVCBSA-N > C23H30O5 > 386.488 > 386.209324066 > 3 > 58 > 42.50325017884297 > 1 > 0 > 0 > 1 > (1S)-1-[(1R,4aS,11aR)-1-(acetyloxy)-7-methyl-11-methylidene-1H,4aH,5H,6H,9H,10H,11H,11aH-cyclonona[c]pyran-4-yl]penta-3,4-dien-1-yl acetate > 3.901683213666667 > 0 > 2 > 0 > -4.890661900823967 > 61.830000000000005 > 108.50970000000001 > 7 > 1 > (1S)-1-[(1R,4aS,11aR)-1-(acetyloxy)-7-methyl-11-methylidene-1H,4aH,5H,6H,9H,10H,11aH-cyclonona[c]pyran-4-yl]penta-3,4-dien-1-yl acetate > 0 > NP0226523 > (1s)-1-[(1r,4as,11ar)-1-(acetyloxy)-7-methyl-11-methylidene-1h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-4-yl]penta-3,4-dien-1-yl acetate $$$$