Mrv1652309092206532D 26 29 0 0 1 0 999 V2000 4.6752 2.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4987 2.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 3.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 1.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2563 0.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0744 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 -0.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6982 -1.2787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7267 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -1.7156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7934 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 -1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 -1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1525 -0.4949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2806 0.3201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8290 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 1.1585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6344 1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -0.3390 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 1 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 1 0 0 0 20 24 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END > NP0279487 > NP-MRD > C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)O[C@@H]3[C@@H]3C(=O)C(C)=C\C3=C1/OC(C)=O)C2(C)C > InChI=1S/C22H30O4/c1-11-9-14-17(18(11)24)20-22(6,26-20)8-7-15-16(21(15,4)5)10-12(2)19(14)25-13(3)23/h9,12,15-17,20H,7-8,10H2,1-6H3/b19-14+/t12-,15+,16-,17+,20-,22+/m1/s1 > HQTDVSPKCOYAQC-RWQVCBMDSA-N > C22H30O4 > 358.478 > 358.214409446 > 3 > 56 > 39.736894817098644 > 1 > 0 > 0 > 1 > (1R,2R,4S,7S,9R,11R,12E)-4,8,8,11,15-pentamethyl-16-oxo-3-oxatetracyclo[11.3.0.0^{2,4}.0^{7,9}]hexadeca-12,14-dien-12-yl acetate > 3.348100395666669 > 0 > 4 > 0 > 10.923824666856891 > -4.20726603832937 > 55.900000000000006 > 100.86689999999999 > 2 > 1 > (1R,2R,4S,7S,9R,11R,12E)-4,8,8,11,15-pentamethyl-16-oxo-3-oxatetracyclo[11.3.0.0^{2,4}.0^{7,9}]hexadeca-12,14-dien-12-yl acetate > 0 > NP0279487 > (1r,2r,4s,7s,9r,11r,12e)-4,8,8,11,15-pentamethyl-16-oxo-3-oxatetracyclo[11.3.0.0²,⁴.0⁷,⁹]hexadeca-12,14-dien-12-yl acetate $$$$