Mrv1652309072211072D 25 28 0 0 1 0 999 V2000 6.8759 1.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 0.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4376 -0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4789 0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3054 1.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9172 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 2.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 1.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0819 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 -0.0237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2714 -0.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -0.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -0.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4523 0.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7099 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 1.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 0.6277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 0.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 -0.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 9 22 1 0 0 0 0 23 21 1 1 0 0 0 12 23 1 0 0 0 0 16 23 1 0 0 0 0 10 24 1 0 0 0 0 4 24 1 0 0 0 0 24 25 2 0 0 0 0 M END > NP0247322 > NP-MRD > CC(C)C1=C(O)C(=O)C2=C(C[C@@H]3OC(=O)[C@@]4(C)CCC=C(C2)[C@@H]34)C1=O > InChI=1S/C20H22O5/c1-9(2)14-16(21)12-8-13-15-10(7-11(12)17(22)18(14)23)5-4-6-20(15,3)19(24)25-13/h5,9,13,15,23H,4,6-8H2,1-3H3/t13-,15-,20-/m0/s1 > XXVSZSNOEWVDPA-KPHUOKFYSA-N > C20H22O5 > 342.391 > 342.146723808 > 4 > 47 > 36.17290034032036 > 1 > 1 > 0 > 1 > (10S,13S,17R)-5-hydroxy-13-methyl-6-(propan-2-yl)-11-oxatetracyclo[8.6.1.0^{3,8}.0^{13,17}]heptadeca-1(16),3(8),5-triene-4,7,12-trione > 3.0220107333333335 > 0 > 4 > -1 > 5.923042159326822 > -5.137521359510527 > 80.67 > 93.40610000000001 > 1 > 1 > (10S,13S,17R)-5-hydroxy-6-isopropyl-13-methyl-11-oxatetracyclo[8.6.1.0^{3,8}.0^{13,17}]heptadeca-1(16),3(8),5-triene-4,7,12-trione > 0 > NP0247322 > (10s,13s,17r)-5-hydroxy-6-isopropyl-13-methyl-11-oxatetracyclo[8.6.1.0³,⁸.0¹³,¹⁷]heptadeca-1(16),3(8),5-triene-4,7,12-trione $$$$