Mrv1652309122217382D 24 27 0 0 1 0 999 V2000 1.5701 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 0.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 0.1383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1518 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -1.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 -0.0229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7146 0.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0624 1.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 1.1876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6393 1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5034 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4421 0.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2224 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3506 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0473 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3807 -0.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1611 -0.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 0.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1980 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 0.3779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 3 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 7 1 1 0 0 0 10 24 1 0 0 0 0 M END > NP0330370 > NP-MRD > CC[C@H]1[C@@H]2O[C@]3(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3[C@@H]2OC1=O > InChI=1S/C20H30O4/c1-6-11-14-15(23-17(11)22)16-19(4)9-8-13(21)18(2,3)12(19)7-10-20(16,5)24-14/h11-12,14-16H,6-10H2,1-5H3/t11-,12-,14-,15+,16+,19-,20+/m0/s1 > JNUVXMXKQPURQN-QPPISCLDSA-N > C20H30O4 > 334.456 > 334.214409446 > 3 > 54 > 37.56271289237938 > 1 > 0 > 0 > 1 > (1S,2S,7R,10R,12S,13S,16S)-13-ethyl-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadecane-5,14-dione > 3.7085584759999994 > 0 > 4 > 0 > 19.985441937591307 > -4.212218101122689 > 52.6 > 89.4941 > 1 > 1 > (1S,2S,7R,10R,12S,13S,16S)-13-ethyl-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.6.0.0^{2,7}.0^{12,16}]hexadecane-5,14-dione > 0 > NP0330370 > (1s,2s,7r,10r,12s,13s,16s)-13-ethyl-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadecane-5,14-dione $$$$