Mrv1652309052205032D 41 46 0 0 1 0 999 V2000 1.7575 3.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 2.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0442 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.5263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3999 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 1.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7219 1.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 1.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 -0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 0.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3681 -0.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 0.1264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6176 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -0.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 -0.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0012 -0.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 -0.3702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1929 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 -1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -2.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 -3.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -2.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -1.4020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2574 -0.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 -2.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6773 -0.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 0.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 1.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 1.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7835 1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 0.5780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3309 0.7435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2508 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 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 2 0 0 0 0 15 16 1 0 0 0 0 7 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 23 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 37 39 1 0 0 0 0 21 39 1 0 0 0 0 39 40 1 0 0 0 0 5 40 1 0 0 0 0 18 40 1 0 0 0 0 40 41 1 1 0 0 0 M END > NP0206708 > NP-MRD > CC(=O)O[C@@H]1OC(=O)C=C1[C@@H]1OC(=O)[C@H]2O[C@@]22[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)OC(C)(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C > InChI=1S/C30H36O11/c1-14(31)36-19-13-18-26(3,4)40-20(33)9-10-27(18,5)17-8-11-28(6)22(16-12-21(34)38-25(16)37-15(2)32)39-24(35)23-30(28,41-23)29(17,19)7/h9-10,12,17-19,22-23,25H,8,11,13H2,1-7H3/t17-,18+,19+,22+,23-,25-,27-,28+,29+,30-/m1/s1 > QYUWVWXIYMIDCZ-RAABLCOLSA-N > C30H36O11 > 572.607 > 572.225761979 > 6 > 77 > 57.624888220385095 > 1 > 0 > 0 > 0 > (1S,2R,4S,7R,8S,11R,12R,18R,20S)-7-[(2R)-2-(acetyloxy)-5-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 > 2.9898824633333323 > 0 > 6 > -1 > 17.35228174417472 > 1.6229152584708455 > -4.306527944143479 > 144.03000000000003 > 138.2584 > 5 > 0 > (1S,2R,4S,7R,8S,11R,12R,18R,20S)-7-[(2R)-2-(acetyloxy)-5-oxo-2H-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 > NP0206708 > (1s,2r,4s,7r,8s,11r,12r,18r,20s)-7-[(2r)-2-(acetyloxy)-5-oxo-2h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-en-20-yl acetate $$$$