Mrv1652304282222222D 38 43 0 0 1 0 999 V2000 3.6866 0.5331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9474 -0.2496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3999 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3309 0.0815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8784 0.6986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6176 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 1.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 1.0297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5227 0.2470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9752 -0.3702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1670 -0.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 1.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1929 1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 3.0520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1830 3.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 2.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 3.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 1.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0442 -1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 -2.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7219 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 -0.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 0.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 -1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 1.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 2 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 16 20 1 0 0 0 0 20 21 2 0 0 0 0 18 22 1 6 0 0 0 11 23 1 6 0 0 0 10 23 1 6 0 0 0 9 24 1 1 0 0 0 5 25 1 6 0 0 0 4 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 2 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 1 35 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 1 38 1 6 0 0 0 M END > NP0075049 > NP-MRD > CC(=O)O[C@H]1C[C@@H]2[C@](C)(C=CC(=O)OC2(C)C)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]12C)C1=C[C@H](O)OC1=O > InChI=1S/C28H34O10/c1-13(29)34-17-12-16-24(2,3)37-18(30)8-9-25(16,4)15-7-10-26(5)20(14-11-19(31)35-22(14)32)36-23(33)21-28(26,38-21)27(15,17)6/h8-9,11,15-17,19-21,31H,7,10,12H2,1-6H3/t15-,16+,17+,19-,20+,21-,25-,26+,27+,28-/m1/s1 > NCNVNIVCTSYUFB-WIPNAVCVSA-N > C28H34O10 > 530.57 > 530.215197295 > 6 > 72 > 53.567938903620444 > 1 > 1 > 0 > 0 > (1S,2R,4S,7R,8S,11R,12R,18R,20S)-7-[(5R)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icos-13-en-20-yl acetate > 2.23 > 2.7009462706666674 > -4.82 > 0 > 6 > 0 > 15.357359284869101 > 11.77969532140319 > -4.168173608156821 > 137.96 > 129.18200000000002 > 3 > 0 > 7.99e-03 g/l > (1S,2R,4S,7R,8S,11R,12R,18R,20S)-7-[(5R)-5-hydroxy-2-oxo-5H-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0^{2,4}.0^{2,8}.0^{12,18}]icos-13-en-20-yl acetate > 0 > NP0075049 > (+)-7-Deoxo-7beta-acetoxykihadanin B $$$$